Product Name

  • Name

    N-Cyclohexyl-3-aminopropanesulfonic acid

  • EINECS 214-492-1
  • CAS No. 1135-40-6
  • Article Data6
  • CAS DataBase
  • Density 1.19 g/cm3
  • Solubility 9 g/100 mL (20 °C) in water
  • Melting Point >300 °C
  • Formula C9H19NO3S
  • Boiling Point
  • Molecular Weight 221.321
  • Flash Point >110℃
  • Transport Information 25kgs
  • Appearance White/clear crystalline powder
  • Safety 26-36/37/39-24/25-22-23
  • Risk Codes 22-36/37/38
  • Molecular Structure Molecular Structure of 1135-40-6 (N-Cyclohexyl-3-aminopropanesulfonic acid)
  • Hazard Symbols IrritantXi,HarmfulXn
  • Synonyms 3-(Cyclohexylamino)propanesulfonicacid;3-Cyclohexylamino-1-propanesulfonic acid;CAPS;CAPS (buffering agent);Cyclohexylaminopropanesulfonicacid;WAS-12;N-Cyclohexyl-3-aminopropanesulfonic acid;
  • PSA 74.78000
  • LogP 2.65830

Synthetic route

3-(cyclohexylamino)propanesulfonic acid
1135-40-6

3-(cyclohexylamino)propanesulfonic acid

2-(4-chlorophenyl)-3-methyl-(2SR)-butanoyl chloride
51631-50-6

2-(4-chlorophenyl)-3-methyl-(2SR)-butanoyl chloride

3-Phenoxybenzaldehyde
39515-51-0

3-Phenoxybenzaldehyde

FENVALERATE
51630-58-1

FENVALERATE

Conditions
ConditionsYield
In n-heptane; water
In n-heptane; water
...Expand
permethric acid chloride
52314-67-7

permethric acid chloride

3-(cyclohexylamino)propanesulfonic acid
1135-40-6

3-(cyclohexylamino)propanesulfonic acid

3-Phenoxybenzaldehyde
39515-51-0

3-Phenoxybenzaldehyde

cypermethrine
52315-07-8

cypermethrine

Conditions
ConditionsYield
With sodium carbonate In n-heptane; water
...Expand
3-(cyclohexylamino)propanesulfonic acid
1135-40-6

3-(cyclohexylamino)propanesulfonic acid

tetra-n-butylphosphonium hydroxide
14518-69-5

tetra-n-butylphosphonium hydroxide

[TBP][CAPS]

[TBP][CAPS]

Conditions
ConditionsYield
In water at 20℃;
3-(cyclohexylamino)propanesulfonic acid
1135-40-6

3-(cyclohexylamino)propanesulfonic acid

tetramethyl ammoniumhydroxide
75-59-2

tetramethyl ammoniumhydroxide

C9H18NO3S(1-)*C4H12N(1+)

C9H18NO3S(1-)*C4H12N(1+)

Conditions
ConditionsYield
In water at 20℃; for 12h;
3-(cyclohexylamino)propanesulfonic acid
1135-40-6

3-(cyclohexylamino)propanesulfonic acid

tetraethylammonium hydroxide
77-98-5

tetraethylammonium hydroxide

C9H18NO3S(1-)*C8H20N(1+)

C9H18NO3S(1-)*C8H20N(1+)

Conditions
ConditionsYield
In water at 20℃; for 12h;
3-(cyclohexylamino)propanesulfonic acid
1135-40-6

3-(cyclohexylamino)propanesulfonic acid

tetra(n-butyl)ammonium hydroxide
2052-49-5

tetra(n-butyl)ammonium hydroxide

3-Cyclohexylamino-propane-1-sulfonatetetrabutyl-ammonium;
113599-05-6

3-Cyclohexylamino-propane-1-sulfonatetetrabutyl-ammonium;

Conditions
ConditionsYield
In water at 20℃; for 12h;
N,N-dimethyl-cyclohexanamine
98-94-2

N,N-dimethyl-cyclohexanamine

3-(cyclohexylamino)propanesulfonic acid
1135-40-6

3-(cyclohexylamino)propanesulfonic acid

Hexamethylene diisocyanate
822-06-0

Hexamethylene diisocyanate

C17H31N3O5S*C8H17N

C17H31N3O5S*C8H17N

Conditions
ConditionsYield
at 80℃; for 3h;
...Expand
hexamethylenediisocyanate uretdione
23501-81-7

hexamethylenediisocyanate uretdione

N,N-dimethyl-cyclohexanamine
98-94-2

N,N-dimethyl-cyclohexanamine

3-(cyclohexylamino)propanesulfonic acid
1135-40-6

3-(cyclohexylamino)propanesulfonic acid

C25H43N5O7S*C8H17N

C25H43N5O7S*C8H17N

Conditions
ConditionsYield
Heating;
...Expand
3-(cyclohexylamino)propanesulfonic acid
1135-40-6

3-(cyclohexylamino)propanesulfonic acid

TPO chloride

TPO chloride

C32H39NO5PS(1-)*K(1+)

C32H39NO5PS(1-)*K(1+)

Conditions
ConditionsYield
With potassium carbonate In acetonitrile Reflux;
3-(cyclohexylamino)propanesulfonic acid
1135-40-6

3-(cyclohexylamino)propanesulfonic acid

(3,5-bis(chloromethyl)-2,4,6-trimethylphenyl)(diphenylphosphoryl)methanone

(3,5-bis(chloromethyl)-2,4,6-trimethylphenyl)(diphenylphosphoryl)methanone

C42H57N2O8PS2(2-)*2K(1+)

C42H57N2O8PS2(2-)*2K(1+)

Conditions
ConditionsYield
With potassium carbonate In acetonitrile Reflux;

N-Cyclohexyl-3-aminopropanesulfonic acid Specification

1. Introduction of N-Cyclohexyl-3-aminopropanesulfonic acid

The N-Cyclohexyl-3-aminopropanesulfonic acid, with its CAS NO.1135-40-6, is a kind of white Crystalline Powder. It has synonyms of  3-(Cyclohexylamino)propanesulfonicacid;3-Cyclohexylamino-1-propanesulfonic acid;CAPS;CAPS (buffering agent) and Cyclohexylaminopropanesulfonicacid. N-Cyclohexyl-3-aminopropanesulfonic acid should be stored in shady and cool warehouse and mainly used as buffering agent.

2.Properties of N-Cyclohexyl-3-aminopropanesulfonic acid

(1) Molecular Weight 221.31706 [g/mol]  (2) Molecular Formula C9H19NO3S  (3) XLogP3-AA -1.4
(4) H-Bond Donor 2  (5) H-Bond Acceptor 4 (6) Rotatable Bond Count 5
(7) Exact Mass 221.108564  (8) MonoIsotopic Mass 221.108564  (9) Topological Polar Surface Area 74.8
(10) Heavy Atom Count 14  (11)Complexity 239 (12) Covalently-Bonded Unit Count 1
(13) Feature 3D Acceptor Count 3  (14) Feature 3D Donor Count 1 (15) Feature 3D Anion Count 1
(16) Feature 3D Cation Count 1 (17) Feature 3D Ring Count 1 (18) Effective Rotor Count 6.2
(19) Conformer Sampling RMSD 0.6 (20) CID Conformer Count 57
 

3. Structure descriptors of N-Cyclohexyl-3-aminopropanesulfonic acid

IUPAC Name: 3-(cyclohexylamino)propane-1-sulfonic acid

InChI: InChI=1S/C9H19NO3S/c11-14(12,13)8-4-7-10-9-5-2-1-3-6-9/h9-10H,1-8H2,(H,
11,12,13)

InChIKey: PJWWRFATQTVXHA-UHFFFAOYSA-N

Canonical SMILES : C1CCC(CC1)NCCCS(=O)(=O)O


4. Safety information of N-Cyclohexyl-3-aminopropanesulfonic acid

Hazard Codes: XiIrritant,XnHarmful
Risk Statements: 36/37/38-20/21/22
R36/37/38: Irritating to eyes, respiratory system and skin.
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36/37/39-24/25-22-23
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S24/25: Avoid contact with skin and eyes.
S22: Do not breathe dust.
S23: Do not breathe vapour.
WGK Germany: 3
RTECS: TZ6395000
F: 34
 

5.Toxicity data of N-Cyclohexyl-3-aminopropanesulfonic acid

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
quail LD50 oral > 316mg/kg (316mg/kg)   Ecotoxicology and Environmental Safety. Vol. 6, Pg. 149, 1982.

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