Isobutylamine supplier | CasNO.78-81-9

Name
Isobutylamine
EINECS 201-145-4
CAS No. 78-81-9
Article Data131
CAS DataBase
Density 0.741 g/cm³
Solubility Soluble in water
Melting Point -85 °C(lit.)
Formula C₄H₁₁N
Boiling Point 67.7 °C at 760 mmHg
Molecular Weight 73.138
Flash Point 15°F
Transport Information UN 1214 3/PG 2
Appearance Clear colorless to slightly yellow liquid
Safety 26-36/37/39-45
Risk Codes 11-22-35
Molecular Structure
Hazard Symbols F,C
Synonyms Isobutylamine(8CI);1-Amino-2-methylpropane;2-Methyl-1-aminopropane;2-Methyl-1-propanamine;2-Methylpropanamine;2-Methylpropylamine;3-Methyl-2-propylamine;Monoisobutylamine;NSC 8028;Valamine;iso-Butylamine;
PSA 26.02000
LogP 1.30140

Synthetic route

: 78-82-0
Isobutyronitrile

: 78-81-9
isobutylamine

Conditions

Conditions	Yield
With borane-ammonia complex In methanol; water at 20℃; for 0.0833333h;	97%
With sodium tetrahydroborate In water at 95℃; for 1h; chemoselective reaction;	88%
With sodium tetrahydroborate In water at 25℃; for 0.75h; Sonication;	87%

: 2878-14-0
2-methylallylamin

: 78-81-9
isobutylamine

Conditions

Conditions	Yield
With hydrogen; Rhodium chloride tri(triphenylphosphine-meta-trisulfonate) In water for 15h; Ambient temperature;	95%

: 78-84-2
isobutyraldehyde

: 78-81-9
isobutylamine

Conditions

Conditions	Yield
With ammonium hydroxide; hydrogen In ethanol at 130℃; under 7500.75 Torr; for 16h; Autoclave;	92%
With platinum(IV) oxide; ammonia Hydrogenation;
With ammonia; water; nickel at 60 - 90℃; under 80905.8 Torr; Hydrogenation;
With ammonia; hydrogen; nickel at 130 - 140℃;

: 594-70-7
2-Methyl-2-nitropropane

: 78-81-9
isobutylamine

Conditions

Conditions	Yield
With sodium tetrahydroborate; nickel(II) chloride hexahydrate In water at 20℃; for 3h; Inert atmosphere; Green chemistry;	92%

: 625-74-1
1-nitroisobutane

A: 64930-17-2
N-(2-methylpropyl)-hydroxylamine

B: 78-81-9
isobutylamine

Conditions

Conditions	Yield
With hydrogen In para-xylene; isopropyl alcohol at 25℃; under 760.051 Torr; for 23h; Reagent/catalyst;	A 91% B 8%

: 78-84-2
isobutyraldehyde

A: 6898-82-4
N-isobutylideneisobutylamine

B: 78-81-9
isobutylamine

Conditions

Conditions	Yield
With ammonium hydroxide; hydrogen In ethanol at 130℃; under 7500.75 Torr; for 12h; Autoclave;	A 15.5% B 70%

: N'-isobutyl-N,N-dibenzyl-formamidine

: 78-81-9
isobutylamine

Conditions

Conditions	Yield
In methanol; water at 20℃; for 72h; Hydrolysis;	67%

: 72-18-4
L-valine

A: 110-96-3
diisobutylamine

B: 78-81-9
isobutylamine

C: 598-74-3
2-amino-3-methylbutane

Conditions

Conditions	Yield
Stage #1: L-valine With cyclopentyl methyl ether; ammonia at 200℃; under 4500.45 Torr; Sealed tube; Green chemistry; Stage #2: With cyclopentyl methyl ether; ammonia; hydrogen at 200℃; under 42004.2 Torr; for 6.5h; Cooling with ice; Green chemistry;	A 5% B 50% C 7%

...Expand

: 78-82-0
Isobutyronitrile

A: 110-96-3
diisobutylamine

B: 1116-40-1
triisobutylamine

C: 78-81-9
isobutylamine

Conditions

Conditions	Yield
With sodium tetrahydroborate; hydrogen; nickel dichloride In tert-butyl alcohol at 70℃; under 760.051 Torr; for 12h;	A 48% B 18% C 4%

...Expand

: 78-84-2
isobutyraldehyde

A: 110-96-3
diisobutylamine

B: 78-82-0
Isobutyronitrile

C: 1116-40-1
triisobutylamine

D: 6898-82-4
N-isobutylideneisobutylamine

E: 78-81-9
isobutylamine

Conditions

Conditions	Yield
With ammonia; hydrogen; palladium on activated charcoal at 180℃; under 760 Torr; Product distribution; Mechanism; other catalyst, temperature;;	A 47.1% B 3% C 5.7% D 6.1% E 19.9%

...Expand

: 67-62-9
O-Methylhydroxylamin

: 926-62-5
isobutylmagnesium bromide

: 78-81-9
isobutylamine

Conditions

Conditions	Yield
With diethyl ether at -15 - -10℃;

: 110-96-3
diisobutylamine

: 78-81-9
isobutylamine

Conditions

Conditions	Yield
With 1-hydroxytetraphenylcyclopentadienyl(tetraphenyl-2,4-cyclopentadien-1-one)-μ-hydrotetracarbonyldiruthenium(II); ammonia; water In tert-Amyl alcohol; tert-butyl methyl ether at 170℃; for 16h; pressure tube; Inert atmosphere;	73 %Chromat.
With nickel permutite; ammonia at 370℃;
With ammonia; pyrographite at 370℃;

: 78-85-3
2-methylpropenal

: 78-81-9
isobutylamine

Conditions

Conditions	Yield
With methanol; ammonia; nickel Hydrogenation;

: 151-00-8
isobutyraldehyde oxime

: 78-81-9
isobutylamine

Conditions

Conditions	Yield
With ethanol; ammonia; water; nickel at 50℃; under 2942.03 Torr; Hydrogenation;

: 542-56-3
nitrous acid isobutyl ester

A: 110-96-3
diisobutylamine

B: 78-81-9
isobutylamine

Conditions

Conditions	Yield
With hydrogen; zinc(II) oxide
With hydrogen; manganese(II) oxide

: 78-83-1
2-methyl-propan-1-ol

: 78-81-9
isobutylamine

Conditions

Conditions	Yield
With aluminium silicate; ammonia at 370℃; under 6619.6 Torr;

: 513-38-2
Isobutyl iodide

: 3315-16-0
silver cyanate

A: 78-81-9
isobutylamine

B: 75-64-9
tert-butylamine

Conditions

Conditions	Yield
Destillation des Reaktionsprodukts mit Aetzkali;

...Expand

: 513-38-2
Isobutyl iodide

: 78-81-9
isobutylamine

Conditions

Conditions	Yield
With ammonia
With ammonia; sodium

: 541-46-8
isobutylamide

A: 952005-55-9
N-isobutyl-N'-isovaleryl-urea

B: 78-81-9
isobutylamine

Conditions

Conditions	Yield
With alkaline solution; bromine

: 625-74-1
1-nitroisobutane

: 78-81-9
isobutylamine

Conditions

Conditions	Yield
With ethanol; nickel at 40 - 50℃; Hydrogenation;
With hydrogenchloride; iron at 100℃;
With methanol; nickel at 40 - 50℃; Hydrogenation;
With methanol; nickel at 40 - 50℃; Hydrogenation;
With ethanol; nickel at 40 - 50℃; Hydrogenation;

: 625-74-1
1-nitroisobutane

A: 151-00-8
isobutyraldehyde oxime

B: 78-81-9
isobutylamine

Conditions

Conditions	Yield
With acetic acid; zinc

: 539-89-9
isobutyl-carbamic acid ethyl ester

: 78-81-9
isobutylamine

Conditions

Conditions	Yield
With hydrogenchloride at 150℃;

: 5570-70-7
isobutyraldehyde phenylhydrazone

: 78-81-9
isobutylamine

Conditions

Conditions	Yield
With hydrogen; nickel at 180 - 190℃;

: 1189-23-7
N,N'-di-isobutylurea

: 107-21-1
ethylene glycol

: 78-81-9
isobutylamine

Conditions

Conditions	Yield
at 175℃; Rate constant;

: 516-06-3
D,L-valine

: 78-81-9
isobutylamine

Conditions

Conditions	Yield
With nitrobenzene; 4-dimethylamino-benzaldehyde at 195℃;

: 78-84-2
isobutyraldehyde

A: 110-96-3
diisobutylamine

B: 78-81-9
isobutylamine

Conditions

Conditions	Yield
With methanol; platinum(IV) oxide; ammonia; ammonium chloride under 735.5 - 2206.5 Torr; Hydrogenation;

: 513-36-0
isobutyryl chloride

: 78-81-9
isobutylamine

Conditions

Conditions	Yield
With ammonia; water unter Druck;
With ethanol; ammonia; water at 110 - 115℃;

: 78-81-9
isobutylamine

: 100-52-7
benzaldehyde

: 27845-49-4, 6852-57-9
benzylideneisobutylamine

Conditions

Conditions	Yield
at 20℃; for 2h;	100%
	91%

: 78-81-9
isobutylamine

: 100-07-2
4-methoxy-benzoyl chloride

: 7464-51-9
N-isobutyl-4-methoxybenzamide

Conditions

Conditions	Yield
With triethylamine In benzene	100%

: 78-81-9
isobutylamine

: 122-04-3
4-nitro-benzoyl chloride

: 2585-25-3
N-isobutyl-4-nitrobenzamide

Conditions

Conditions	Yield
With triethylamine In benzene	100%
With triethylamine In chloroform	78%

: 78-81-9
isobutylamine

: 79-04-9
chloroacetyl chloride

: 32461-83-9
2-chloro-N-isobutylacetamide

Conditions

Conditions	Yield
In acetone at 20℃;	100%
With potassium carbonate In dichloromethane at 20℃; Cooling with ice;	73%
With potassium carbonate In dichloromethane at 20℃; Cooling with ice;	73.1%

: 78-81-9
isobutylamine

: 98-09-9
benzenesulfonyl chloride

: 23705-39-7
N-(iso-butyl)benzenesulfonamide

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dichloromethane at -25 - 20℃; Inert atmosphere;	100%
With N-ethyl-N,N-diisopropylamine; N,N-dimethyl-formamide In tetrahydrofuran at 20℃; for 1h;	80%
With picoline In dichloromethane at 20℃; for 1h;	71%

: 78-81-9
isobutylamine

: 109-94-4
formic acid ethyl ester

: 6281-96-5
N-isobutylformamide

Conditions

Conditions	Yield
for 12h; Reflux; Inert atmosphere;	100%

: 31351-00-5
(Z,Z)-2,6-cyclooctadien-1-one

: 78-81-9
isobutylamine

: 97877-72-0
9-isobutyl-9-azabicyclo<3.3.1>nonan-3-one

Conditions

Conditions	Yield
In methanol for 72h; Ambient temperature;	100%

: 59565-09-2
2-(vinyloxy)ethyl isothiocyanate

: 78-81-9
isobutylamine

: 121612-53-1
1-Isobutyl-3-(2-vinyloxy-ethyl)-thiourea

Conditions

Conditions	Yield
	100%

: 78-81-9
isobutylamine

: 403-43-0
4-fluorobenzoyl chloride

: 88358-25-2
p-fluoro-N-isobutylbenzamide

Conditions

Conditions	Yield
With triethylamine In benzene	100%
With 1,4-diaza-bicyclo[2.2.2]octane In chloroform-d1	88 % Spectr.

: 78-81-9
isobutylamine

: 534-18-9
sodium trithiocarbonate

A: 2044-27-1
1-methyl-2-pyridinethione

B: 29214-81-1
1,3-di(isobutyl)thiourea

Conditions

Conditions	Yield
With 2-chloro-1-methyl-pyridinium iodide In chloroform at 50℃; for 3h;	A 93% B 100%

...Expand

: 78-81-9
isobutylamine

: 122-01-0
4-chloro-benzoyl chloride

: 7461-33-8
4-Chloro-N-isobutyl-benzamid

Conditions

Conditions	Yield
With triethylamine In benzene	100%

: 78-81-9
isobutylamine

: 113290-34-9
methyl 2-(N,N-dimethyl-N'-formamidinyl)-5-methylbenzoate

: 113260-91-6
3-i-butyl-6-methylquinazolin-4-one

Conditions

Conditions	Yield
toluene-4-sulfonic acid In 1,4-dioxane for 4h; Heating;	100%

: 78-81-9
isobutylamine

: 4637-24-5
N,N-dimethyl-formamide dimethyl acetal

: 67161-18-6
N2-iso-butyl-N1,N1-dimethylformamidine

Conditions

Conditions	Yield
at 60℃;	100%

: 78-81-9
isobutylamine

: 3-Benzoyl-thiazolidin-(2Z)-ylidene-cyanamide

: 5705-57-7
N-isobutyl-benzamide

Conditions

Conditions	Yield
In dichloromethane for 0.5h; Ambient temperature;	100%

: 78-81-9
isobutylamine

: 3-Phenylacetyl-thiazolidin-(2Z)-ylidene-cyanamide

: 62856-00-2
N-(2-methoxypropyl)-2-phenylacetamide

Conditions

Conditions	Yield
In dichloromethane for 0.5h; Ambient temperature;	100%

: 78-81-9
isobutylamine

: 1620-98-0
3,5-di-t-butyl-4-hydroxybenzaldehyde

: 77149-47-4
4-<(N-isobutylimino)methyl>-2,6-di-tert-butylphenol

Conditions

Conditions	Yield
In ethanol for 3h; Heating;	100%

: 78-81-9
isobutylamine

: 52548-05-7
1-(Dichloroamino)-2-methylpropane

Conditions

Conditions	Yield
With trichloroisocyanuric acid In dichloromethane at 15 - 20℃; for 0.5h;	100%
With hydrogenchloride; calcium hypochlorite In dichloromethane at 0℃; for 2h;	67%

: 78-81-9
isobutylamine

: 161868-74-2
1,1-dichloro-5-aza-2,8-dioxa-1-phosphaV-dibenzo<9,9',11,11'-tetra-tert-butyl>-bicyclo<3.3.0>octadiene

: 1,1-di-sec-butylamino-5-aza-2,8-dioxa-1-phosphaV-dibenzo<9,9',11,11'-tetra-tert-butyl>-bicyclo<3.3.0>octadiene

Conditions

Conditions	Yield
In benzene for 2h; Ambient temperature;	100%

: 78-81-9
isobutylamine

: 98760-08-8, 98818-34-9, 98818-35-0, 103127-56-6, 98737-29-2
(1-oxiranyl-2-phenylethyl)carbamic acid tert-butyl ester

: 160232-08-6
(2R,3S)-3-tert-butoxycarbonylamino-1-isobutylamino-4-phenyl-2-butanol

Conditions

Conditions	Yield
In isopropyl alcohol at 20℃;	100%
In isopropyl alcohol at 60℃; for 6h;	100%
In isopropyl alcohol at 60℃; Inert atmosphere;	100%

: 78-81-9
isobutylamine

: 856765-76-9
(1S,2S)-(oxiranyl-2-[2H5]-phenyl-ethyl)-carbamic acid tert-butyl ester

: 856765-77-0
3S-[N-(tert-butyloxycarbonyl)amino-1-(2-methylpropyl)amino-4-[2H5]phenyl]butan-2R-ol

Conditions

Conditions	Yield
In isopropyl alcohol at 86℃; for 4h;	100%

: 78-81-9
isobutylamine

: 3181-38-2
2',3',5'-tri-O-acetylinosine

: (-)-2',3',5'-tri-O-acetyl-N6-(isobutyl)adenosine

Conditions

Conditions	Yield
With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃;	100%

: 78-81-9
isobutylamine

: 3433-80-5
1-Bromo-2-bromomethyl-benzene

: 904689-15-2
N,N-bis(2-bromobenzyl)-N-(2-methylpropyl)amine

Conditions

Conditions	Yield
With sodium hydroxide In dichloromethane at 0℃; for 4h;	100%

: 125228-75-3
4-nitrophenyl 2-oxiranylmethyl ether

: 78-81-9
isobutylamine

: 280582-88-9
4-[3-(isobutylamino)-2-hydroxypropoxy]aniline

Conditions

Conditions	Yield
With ammonium formate; palladium In tetrahydrofuran; methanol	100%

: cyclopropane carbonyl chloride

: 78-81-9
isobutylamine

: N-cyclopropylmethyl isobutyramide

Conditions

Conditions	Yield
With triethylamine In dichloromethane	100%

: 1000054-32-9
N-(5-chloro-2,4-dinitrophenyl)-3-methylaniline

: 78-81-9
isobutylamine

: 1000054-34-1
1-(3-methylphenyl)amino-5-(2-methylpropyl)amino-2,4-dinitrobenzene

Conditions

Conditions	Yield
In ethanol at 80℃;	100%

: 1042070-13-2
C16H21NO7

: 78-81-9
isobutylamine

: 1042070-05-2
C17H22N2O5

Conditions

Conditions	Yield
In methanol at 20℃;	100%

: 1131456-58-0
4-(2-chloroethylthio)-3-nitrobenzoyl chloride

: 78-81-9
isobutylamine

: 1131456-59-1
4-(2-chloroethylthio)-N-isobutyl-3-nitrobenzamide

Conditions

Conditions	Yield
With sodium hydrogencarbonate In dichloromethane; water for 16h;	100%

: 1067678-81-2
2-chloro-4,6-bis-(3-methyl-butyl)-pyrimidine

: 78-81-9
isobutylamine

: 1067678-82-3
[4,6-bis-(3-methyl-butyl)-pyrimidin-2-yl]-isobutylamine

Conditions

Conditions	Yield
at 95℃; for 16h; Inert atmosphere; Autoclave;	100%

: 1067679-24-6
2,4-dichloro-6-(2-naphthalen-1-yl-ethyl)-pyrimidine

: 78-81-9
isobutylamine

: 1067679-29-1
2,4-diisobutylamino-6-(2-naphthalen-1-yl-ethyl)-pyrimidine

Conditions

Conditions	Yield
at 95℃; for 16h; Inert atmosphere; Autoclave;	100%

: 1067679-35-9
benzyl-(2-chloro-6-(3-methyl-butyl)-pyrimidin-4-yl)-carbamic acid tert-butyl ester

: 78-81-9
isobutylamine

: 1067679-41-7
benzyl-[2-isobutylamino-6-(3-methyl-butyl)-pyrimidin-4-yl]-carbamic acid tert-butyl ester

Conditions

Conditions	Yield
at 95℃; for 22h; Inert atmosphere; Autoclave;	100%

Isobutylamine Consensus Reports

Reported in EPA TSCA Inventory.

Isobutylamine Standards and Recommendations

DFG MAK: 5 ppm (15 mg/m³)
DOT Classification: 3; Label: Flammable Liquid

Isobutylamine Specification

The Isobutylamine is one of the four isomeric amines of butane, the others being n-butylamine, sec-butylamine and tert-butylamine. The IUPAC name of this chemical is 2-methylpropan-1-amine. With the CAS registry number 78-81-9, it is also named as 1-Propanamine, 2-methyl-. And it is clear colorless to slightly yellow liquid with a fishlike odor that is soluble in water, alcohol and ether. In addition, Isobutylamine neutralizes acids in exothermic reactions to form salts plus water. Moreover, it should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.35; (4)ACD/LogD (pH 7.4): -2.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2 ; (12)Index of Refraction: 1.403; (13)Molar Refractivity: 24.07 cm³; (14)Molar Volume: 98.6 cm³; (15)Polarizability: 9.54×10^-24 cm³; (16)Surface Tension: 23.7 dyne/cm; (17)Enthalpy of Vaporization: 30.61 kJ/mol; (18)Vapour Pressure: 144 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 73.089149; (21)MonoIsotopic Mass: 73.089149; (22)Topological Polar Surface Area: 26; (23)Heavy Atom Count: 5; (24)Complexity: 17.6.

Preparation of Isobutylamine: It can be obtained by catalytic hydrogenation of isobutylaldehyde and ammonia.
→

Uses of Isobutylamine: It can be used in the production of pesticides, corrosion inhibitors, rubber chemicals, mineral flotation agents, gasoline earthquake, polymerization catalyst and stabilizer. And it also can react with succinic acid anhydride to get N-isobutyl-succinimide. This reaction needs reagent TaCl₅-silica gel and solvent solid matrix by irradiation. The reaction time is 6 min. The yield is 78 %.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable and harmful if swallowed. And it also can cause severe burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
1. SMILES:NCC(C)C
2. InChI:InChI=1/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	224mg/kg (224mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA BEHAVIORAL: ANTIPSYCHOTIC	Toxicology and Applied Pharmacology. Vol. 63, Pg. 150, 1982.

Product Name

Isobutylamine

Synthetic route

Isobutylamine Consensus Reports

Isobutylamine Standards and Recommendations

Isobutylamine Specification

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