3-Aminopropylmethylamine supplier

Name
N-METHYL-1,3-PROPANEDIAMINE
EINECS 228-544-6
CAS No. 6291-84-5
Article Data12
CAS DataBase
Density 0.823 g/cm³
Solubility Miscible with water
Melting Point -72 °C
Formula C₄H₁₂N₂
Boiling Point 140 °C at 760 mmHg
Molecular Weight 88.1527
Flash Point 35.6 °C
Transport Information UN 2734
Appearance Colourless Liquid with Ammonia odour
Safety 16-26-36/37-45
Risk Codes 10-20/21/22-34
Molecular Structure
Hazard Symbols F,C,Xi
Synonyms 1,3-Propanediamine,N-methyl- (6CI,7CI,8CI,9CI);(3-Aminopropyl)methylamine;1-(N-Methylamino)-3-aminopropane;1-Amino-3-(methylamino)propane;3-(Methylamino)-1-propylamine;3-(Methylamino)propylamine;3-Amino-1-(methylamino)propane;Koei 3306;Methylaminopropylamine;N-(3-Aminopropyl)-N-methylamine;N-(3-Aminopropyl)methylamine;N-Methyl-1,3-diaminopropane;N-Methyl-1,3-propanediamine;N-Methyl-1,3-propylenediamine;N-Methylpropylylenediamine;N-Methyltrimethylenediamine;N1-Methylpropane-1,3-diamine;NSC 8160;
PSA 38.05000
LogP 0.64580

Synthetic route

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In diethyl ether Solvent; Reflux;	79.1%
With lithium aluminium tetrahydride; diethyl ether
With ammonia; nickel at 120℃; under 128714 Torr; Hydrogenation;

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 6291-84-5
N-Methyl-1,3-propanediamine

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In diethyl ether Solvent; Reflux;	79.1%
With lithium aluminium tetrahydride; diethyl ether
With ammonia; nickel at 120℃; under 128714 Torr; Hydrogenation;

: 352-90-9
1-methyl-1-(β-cyanoethyl)hydrazine

: 6291-84-5
N-Methyl-1,3-propanediamine

Conditions

Conditions	Yield
With hydrogen; nickel In methanol

: 72565-83-4
2-ethylsulfanyl-3-methyl-3H-pyrimidin-4-one

: 64-17-5
ethanol

sodium: sodium

: 6291-84-5
N-Methyl-1,3-propanediamine

...Expand

6-oxo-2-ethylsulfanyl-1-methyl-dihydropyrimidine: 6-oxo-2-ethylsulfanyl-1-methyl-dihydropyrimidine

: 6291-84-5
N-Methyl-1,3-propanediamine

Conditions

Conditions	Yield
With ethanol; sodium

N-methyl-N-<3-acetylamino-propyl>-4-nitroso-aniline: N-methyl-N-<3-acetylamino-propyl>-4-nitroso-aniline

: 6291-84-5
N-Methyl-1,3-propanediamine

Conditions

Conditions	Yield
With water; sodium hydrogensulfite

: 693-05-0
N-(2-cyanoethyl)-N-methylamine

: 7664-41-7
ammonia

Raney nickel: Raney nickel

: 6291-84-5
N-Methyl-1,3-propanediamine

Conditions

Conditions	Yield
at 120℃; under 125036 Torr;

...Expand

: 67-56-1
methanol

: 109-76-2
Trimethylenediamine

A: 109-55-7
1-amino-3-(dimethylamino)propane

B: 111-33-1
1,3-bis(methylamino)propane

C: 6291-84-5
N-Methyl-1,3-propanediamine

Conditions

Conditions	Yield
With Cs-P-Si at 300℃; under 61504.9 Torr;

...Expand

: 124-42-5
acetamidine hydrochloride

: 6291-84-5
N-Methyl-1,3-propanediamine

: 1,2-Dimethyl-1,4,5,6-tetrahydro-pyrimidine; hydrochloride

Conditions

Conditions	Yield
	100%

: 468741-39-1
(+/-)-2-{4-[2-(3-chloro-phenyl)-2-hydroxy-ethylamino]-2-oxo-1,2-dihydro-pyridin-3-yl}-7-methyl-3H-benzimidazole-5-carboximidic ethyl ester

: 6291-84-5
N-Methyl-1,3-propanediamine

: (+/-)-4-[2-(3-chloro-phenyl)-2-hydroxy-ethylamino]-3-[4-methyl-6-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2yl]-1H-pyridin-2-one

Conditions

Conditions	Yield
In ethanol Heating;	100%

: 107-02-8
acrolein

: 6291-84-5
N-Methyl-1,3-propanediamine

: 1467080-15-4
C18H40N6

Conditions

Conditions	Yield
at 20℃;	100%

: 78-84-2
isobutyraldehyde

: 6291-84-5
N-Methyl-1,3-propanediamine

: 70231-94-6
1-methyl-2-(1-methylethyl)-hexahydropyrimidine

Conditions

Conditions	Yield
With potassium carbonate In dichloromethane at -78 - 23℃;	99%
In toluene

: 123018-64-4
4,4-dipropyl-1-carboxycyclohexane-1-acetic acid anhydride

: 6291-84-5
N-Methyl-1,3-propanediamine

: 130065-96-2
2-<3-(methylamino)propyl>-8,8-dipropyl-2-azaspiro<4.5>decane-1,3-dione

Conditions

Conditions	Yield
In toluene Heating;	99%

: 14470-28-1
mono-4-methoxytrityl chloride

: 6291-84-5
N-Methyl-1,3-propanediamine

: 1599485-90-1
C24H28N2O

Conditions

Conditions	Yield
In diethyl ether; dichloromethane for 2h;	99%

: 383-63-1
ethyl trifluoroacetate,

: 6291-84-5
N-Methyl-1,3-propanediamine

: 2,2,2-trifluoro-N-(3-methylamino-propyl)-acetamide

Conditions

Conditions	Yield
In acetonitrile at 85℃;	98.5%

: 86-98-6
4,7-dichloroquinoline

: 6291-84-5
N-Methyl-1,3-propanediamine

: N-(7-chloro-4-quinolinyl)-N'-methyl-1,3-propanediamine

Conditions

Conditions	Yield
at 80 - 145℃; for 5.5h; Inert atmosphere;	98.3%
at 80 - 100℃;	62%
In neat (no solvent) at 120℃; for 2h;	60%

: 492-73-9
2,2'-Pyridil

: 6291-84-5
N-Methyl-1,3-propanediamine

: 34968-55-3
N-(3-(methylamino)propyl)picolinamide

Conditions

Conditions	Yield
With Phenazin; 4-ethyl-1-methyl-4H-[1,2,4]-triazol-1-ium iodide; 1,8-diazabicyclo[5.4.0]undec-7-ene In tetrahydrofuran at 20℃; for 24h; Inert atmosphere; Sealed tube; chemoselective reaction;	98%

: 7655-02-9
2,2-bis(thiophenoxy)-4,4,6,6-tetrachlorocyclotriphosphazatriene

: 6291-84-5
N-Methyl-1,3-propanediamine

: C16H20Cl2N5P3S2

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 24h; Inert atmosphere;	97.6%

: 13636-88-9
3,3-bis(methylthio)-1-phenylprop-2-en-1-one

: 6291-84-5
N-Methyl-1,3-propanediamine

: 124927-52-2
2-(benzoylmethylene)-1-methylhexahydropyrimidine

Conditions

Conditions	Yield
In ethanol for 12h; Heating;	97%

: 90-02-8
salicylaldehyde

: 6291-84-5
N-Methyl-1,3-propanediamine

: 101512-38-3
2-((3-methylamino-propylimino)-methyl)-phenol

Conditions

Conditions	Yield
In methanol at 20℃; for 0.5h;	97%
In methanol at 20℃; for 3h;	82%
In methanol for 1h; Reflux;

: 107-20-0
2-chloroethanal

: 298-14-6
potassium hydrogencarbonate

: 6291-84-5
N-Methyl-1,3-propanediamine

: 1580482-35-4
(RS)-1-methylhexahydro[1,3]oxazolo[3,4-a]pyrimidin-6-one

Conditions

Conditions	Yield
In water at 20℃; for 10h; Green chemistry;	97%

...Expand

: 2-(3-cyanobenzyloxy)-4-(2-methyl-(1,1’-diphenyl)-3-yl-methoxyl)benzaldehyde

: 6291-84-5
N-Methyl-1,3-propanediamine

: 3-[[2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)-5-((2-methyl-3-phenylphenyl)methoxy)phenoxy]methyl]benzonitrile hydrochloride

Conditions

Conditions	Yield
Stage #1: 2-(3-cyanobenzyloxy)-4-(2-methyl-(1,1’-diphenyl)-3-yl-methoxyl)benzaldehyde; N-Methyl-1,3-propanediamine With iodine; potassium carbonate In tert-butyl alcohol at 70℃; for 3h; Stage #2: With hydrogenchloride In water; acetonitrile for 0.333333h;	97%

: 2846-32-4
2,2,4,4-tetrachloro-6,6-diphenylcyclotriphosphazatriene

: 6291-84-5
N-Methyl-1,3-propanediamine

: 119703-61-6
2,2-(1'-methyl-1',3'-diaminopropane)-4,4-dichloro-6,6-diphenylcyclotriphosphazatriene

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 24h; Inert atmosphere;	96.6%
With triethylamine In dichloromethane	45%

: 100-52-7
benzaldehyde

: 6291-84-5
N-Methyl-1,3-propanediamine

: 124821-12-1
1-methyl-2-phenylhexahydropyrimidine

Conditions

Conditions	Yield
With potassium carbonate In dichloromethane at -78 - 23℃;	96%
In toluene
With tert-butyl alcohol at 70℃; for 0.5h;

: 100981-05-3
5-[bis(methylthio)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione

: 6291-84-5
N-Methyl-1,3-propanediamine

: 130178-53-9
isopropylidene (1-methyl-2-hexahydropyrimidinylidene)malonate

Conditions

Conditions	Yield
In ethanol for 3h; Heating;	96%

: 123-38-6
propionaldehyde

: 6291-84-5
N-Methyl-1,3-propanediamine

: 61327-71-7
2-ethyl-1-methyl-hexahydro-pyrimidine

Conditions

Conditions	Yield
With potassium carbonate In dichloromethane at -78 - 23℃;	96%

: 121781-82-6
5-(1-methoxyethylene) Meldrum's acid

: 6291-84-5
N-Methyl-1,3-propanediamine

: 5-(3'-N-methylaminopropylaminoethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione

Conditions

Conditions	Yield
In acetonitrile for 20h; Heating;	96%

: 75-05-8
acetonitrile

: 6291-84-5
N-Methyl-1,3-propanediamine

: 4271-96-9
1,2-dimethyl-1,4,5,6-tetrahydropyrimidine

Conditions

Conditions	Yield
With thioacetamide at 90 - 110℃; for 6h; Temperature; Reagent/catalyst; Large scale;	96%
Stage #1: acetonitrile; N-Methyl-1,3-propanediamine With zinc(II) chloride for 24h; Inert atmosphere; Reflux; Stage #2: Inert atmosphere;	45%

: 19652-32-5
3-bromo-5-chlorosalicylaldehyde

: 6291-84-5
N-Methyl-1,3-propanediamine

: 2-bromo-4-chloro-6-[(3-dimethylaminopropylimino)methyl]phenol

Conditions

Conditions	Yield
In methanol at 50℃; for 1h;	96%

: 1101183-58-7
2-isocyanobenzaldehyde

: 6291-84-5
N-Methyl-1,3-propanediamine

: 1-methyl-1,3,4,11b-tetrahydro-2H-pyrimido[1,2-c]quinazoline

Conditions

Conditions	Yield
With pyridinium p-toluenesulfonate In dimethyl sulfoxide at 25℃; Molecular sieve;	96%

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

: 6291-84-5
N-Methyl-1,3-propanediamine

: 2304-03-2
1-methyl-1,4,5,6-tetrahydropyrimidine

Conditions

Conditions	Yield
at 90 - 110℃; for 1h;	95%
In toluene at 80℃; for 24h;	94%

: 77-77-0
Divinyl sulfone

: 6291-84-5
N-Methyl-1,3-propanediamine

Polymer, Mn: 17110, ηinh: 0.16 dL g-1; Monomers: Divinyl sulfone; N-Methylpropane-1,3-diamine: Polymer, Mn: 17110, ηinh: 0.16 dL g-1; Monomers: Divinyl sulfone; N-Methylpropane-1,3-diamine

Conditions

Conditions	Yield
In 1-methyl-pyrrolidin-2-one for 120h;	95%

: 1013-88-3
Benzophenone imine

: 6291-84-5
N-Methyl-1,3-propanediamine

: N-benzhydrylidene-N'-methyl-propane-1,3-diamine

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 24h;	95%

: 1186467-83-3
(E)-methyl 3-(3,5-dibromo-4-methoxyphenyl)-2-(hydroxyimino)propanoate

: 6291-84-5
N-Methyl-1,3-propanediamine

: 1338586-56-3
(E)-3-(3,5-dibromo-4-methoxyphenyl)-2-hydroxyimino-N-(3-(methylamino)propyl)propanamide

Conditions

Conditions	Yield
With methanol at 65℃; Inert atmosphere; Sealed tube; chemoselective reaction;	95%

: C28H26N4O2*2ClH

: 6291-84-5
N-Methyl-1,3-propanediamine

: 1338221-61-6
1,4-bis(6-(1-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl)benzene

Conditions

Conditions	Yield
In ethanol at 20℃; for 120h;	95%

: 108-10-1
4-methyl-2-pentanone

: 6291-84-5
N-Methyl-1,3-propanediamine

: 79444-33-0
N-(1,3-dimethylbutylidene)-N'-methyl-propane-1,3-diamine

Conditions

Conditions	Yield
at 130℃; for 5h;	95%

: 50-00-0
formaldehyd

: 6291-84-5
N-Methyl-1,3-propanediamine

: 32743-51-4
1,1-methylenebis(3-methylperhydro-1,3-diazine)

Conditions

Conditions	Yield
In benzene for 2h; Heating;	94.3%

: 6291-84-5
N-Methyl-1,3-propanediamine

: 1-hydroxy-2-oxo-3-(3-aminopropyl)-3-methyl-1-triazene

Conditions

Conditions	Yield
With nitrogen(II) oxide In acetonitrile under 3800 Torr; for 22h; Ambient temperature;	94%

3-Aminopropylmethylamine Specification

The 3-Aminopropylmethylamine, with the CAS registry number 6291-84-5, is also known as N-Methyl-propane-1,3-diamine. It belongs to the product category of Pharmacetical. Its EINECS registry number is 228-544-6. This chemical's molecular formula is C₄H₁₂N₂and molecular weight is 88.15. Its IUPAC name and systematic name are the same which is called 3-azaniumylpropyl(methyl)azanium. This chemical is clear liquid.

Physical properties of 3-Aminopropylmethylamine: (1)ACD/LogP: -0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.88; (4)ACD/LogD (pH 7.4): -4.68; (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: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.43; (13)Molar Refractivity: 27.71 cm³; (14)Molar Volume: 107 cm³; (15)Surface Tension: 28.9 dyne/cm; (16)Density: 0.823 g/cm³; (17)Melting Point: -72 °C; (18)Flash Point: 35.6 °C; (19)Enthalpy of Vaporization: 37.72 kJ/mol; (20)Boiling Point: 140 °C at 760 mmHg; (21)Vapour Pressure: 6.26 mmHg at 25°C.

Uses of 3-Aminopropylmethylamine: it can be used to produce 1-methyl-1,5-diaza-spiro[5.5]undecane. This reaction will need reagent toluene-p-sulfonic acid and solvent toluene. The yield is about 85%.

When you are using this chemical, please be cautious about it as the following:
This chemical may catch fire in contact with air. It only need brief contact with an ignition source and it has a very low flash point or evolve highly flammable gases in contact with water. This chemical may destroy living tissue on contact and may cause inflammation to the skin or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. You should keep away from sources of ignition - No smoking. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C[NH2+]CCC[NH3+]
(2)InChI: InChI=1S/C4H12N2/c1-6-4-2-3-5/h6H,2-5H2,1H3/p+2
(3)InChIKey: QHJABUZHRJTCAR-UHFFFAOYSA-P

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	282mg/kg (282mg/kg)	KIDNEY, URETER, AND BLADDER: HEMATURIA	National Technical Information Service. Vol. OTS0555335,
rat	LC50	inhalation	> 189mg/m³/6H (189mg/m³)		National Technical Information Service. Vol. OTS0555335,
rat	LD50	oral	951mg/kg (951mg/kg)	KIDNEY, URETER, AND BLADDER: HEMATURIA	National Technical Information Service. Vol. OTS0555335,

Product Name

N-METHYL-1,3-PROPANEDIAMINE

Synthetic route

3-Aminopropylmethylamine Specification

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