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1135-40-6

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

3-(cyclohexylamino)propanesulfonic acid

51631-50-6

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

39515-51-0

3-Phenoxybenzaldehyde

51630-58-1

FENVALERATE

Conditions
ConditionsYield
In n-heptane; water
In n-heptane; water
52314-67-7

permethric acid chloride

1135-40-6

3-(cyclohexylamino)propanesulfonic acid

39515-51-0

3-Phenoxybenzaldehyde

52315-07-8

cypermethrine

Conditions
ConditionsYield
With sodium carbonate In n-heptane; water
1135-40-6

3-(cyclohexylamino)propanesulfonic acid

14518-69-5

tetra-n-butylphosphonium hydroxide

[TBP][CAPS]

Conditions
ConditionsYield
In water at 20℃;
1135-40-6

3-(cyclohexylamino)propanesulfonic acid

75-59-2

tetramethyl ammoniumhydroxide

C9H18NO3S(1-)*C4H12N(1+)

Conditions
ConditionsYield
In water at 20℃; for 12h;
1135-40-6

3-(cyclohexylamino)propanesulfonic acid

77-98-5

tetraethylammonium hydroxide

C9H18NO3S(1-)*C8H20N(1+)

Conditions
ConditionsYield
In water at 20℃; for 12h;
1135-40-6

3-(cyclohexylamino)propanesulfonic acid

2052-49-5

tetra(n-butyl)ammonium hydroxide

113599-05-6

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

Conditions
ConditionsYield
In water at 20℃; for 12h;
98-94-2

N,N-dimethyl-cyclohexanamine

1135-40-6

3-(cyclohexylamino)propanesulfonic acid

822-06-0

Hexamethylene diisocyanate

C17H31N3O5S*C8H17N

Conditions
ConditionsYield
at 80℃; for 3h;
23501-81-7

hexamethylenediisocyanate uretdione

98-94-2

N,N-dimethyl-cyclohexanamine

1135-40-6

3-(cyclohexylamino)propanesulfonic acid

C25H43N5O7S*C8H17N

Conditions
ConditionsYield
Heating;
1135-40-6

3-(cyclohexylamino)propanesulfonic acid

TPO chloride

C32H39NO5PS(1-)*K(1+)

Conditions
ConditionsYield
With potassium carbonate In acetonitrile Reflux;
1135-40-6

3-(cyclohexylamino)propanesulfonic acid

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

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

Conditions
ConditionsYield
With potassium carbonate In acetonitrile Reflux;
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  • 1-Propanesulfonic acid,3-(cyclohexylamino)-

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    1135-40-6

    1-Propanesulfonic acid,3-(cyclohexylamino)-

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  • N-Cyclohexyl-3-aminopropanesulfonic acid

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    N-Cyclohexyl-3-aminopropanesulfonic acid

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  • N-CYCLOHEXYL-3-AMINOPROPANESULFONIC ACID

  • Casno:

    1135-40-6

    N-CYCLOHEXYL-3-AMINOPROPANESULFONIC ACID

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  • Casno:

    1135-40-6

    N-Cyclohexyl-3-aminopropanesulfonic acid (CAPS) 99% EINECS 214-492-1

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  • N-Cyclohexyl-3-aminopropanesulfonic acid

  • Casno:

    1135-40-6

    N-Cyclohexyl-3-aminopropanesulfonic acid

    Min.Order: 1 Kilogram

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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.