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CAS No.: | 1135-40-6 |
---|---|
Name: | N-Cyclohexyl-3-aminopropanesulfonic acid |
Article Data: | 6 |
Molecular Structure: | |
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 |
Flash Point: | >110℃ |
Solubility: | 9 g/100 mL (20 °C) in water |
Appearance: | White/clear crystalline powder |
Hazard Symbols: | Xi,Xn |
Risk Codes: | 22-36/37/38 |
Safety: | 26-36/37/39-24/25-22-23 |
Transport Information: | 25kgs |
PSA: | 74.78000 |
LogP: | 2.65830 |
3-(cyclohexylamino)propanesulfonic acid
2-(4-chlorophenyl)-3-methyl-(2SR)-butanoyl chloride
3-Phenoxybenzaldehyde
FENVALERATE
Conditions | Yield |
---|---|
In n-heptane; water | |
In n-heptane; water |
permethric acid chloride
3-(cyclohexylamino)propanesulfonic acid
3-Phenoxybenzaldehyde
cypermethrine
Conditions | Yield |
---|---|
With sodium carbonate In n-heptane; water |
3-(cyclohexylamino)propanesulfonic acid
tetra-n-butylphosphonium hydroxide
Conditions | Yield |
---|---|
In water at 20℃; |
Conditions | Yield |
---|---|
In water at 20℃; for 12h; |
Conditions | Yield |
---|---|
In water at 20℃; for 12h; |
3-(cyclohexylamino)propanesulfonic acid
tetra(n-butyl)ammonium hydroxide
3-Cyclohexylamino-propane-1-sulfonatetetrabutyl-ammonium;
Conditions | Yield |
---|---|
In water at 20℃; for 12h; |
N,N-dimethyl-cyclohexanamine
3-(cyclohexylamino)propanesulfonic acid
Hexamethylene diisocyanate
Conditions | Yield |
---|---|
at 80℃; for 3h; |
hexamethylenediisocyanate uretdione
N,N-dimethyl-cyclohexanamine
3-(cyclohexylamino)propanesulfonic acid
Conditions | Yield |
---|---|
Heating; |
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile Reflux; |
3-(cyclohexylamino)propanesulfonic acid
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile Reflux; |
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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: Xi,Xn
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. |