CAS 17430-98-7 1-Cyclohexylethylamine (HCID 110733)

Names & identifiers

Preferred name: 1-Cyclohexylethylamine
IUPAC: 1-cyclohexylethanamine
English name: (S)-(+)-1-Cyclohexylethylamine
Molecular formula: C8H17N
Molecular weight: 127.23

Names & synonyms

1-Cyclohexylethylamine4352-49-21-(Cyclohexyl)ethylamineCyclohexanemethanamine, alpha-methyl-RefChem:4317321-Cyclohexylethanamine54423-01-7(1-cyclohexylethyl)amine1-cyclohexylethan-1-amineMFCD078095351-Cyclohexyl-1-ethanamineXBWOPGDJMAJJDG-UHFFFAOYSA-N

Show more names

(S)-1-CYCLOHEXYLETHYLAMINE(S)-1-Cyclohexylethanamine(1S)-1-Cyclohexylethanamine(S)-(+)-1-CYCLOHEXYETHYLAMINE(S)-(+)-1-CYCLOHEXYLETHYLAMINE(1S)-1-cyclohexylethan-1-amine(S)-(+)-1-AMINOETHYLCYCLOHEXANE(S)-(+)-1-CYCLOHEXYLETHYLAMINE 98%(S)-α-Methylcyclohexanemethanamine

DTXSID901371201(R)-(?)-|A-MethylcyclohexanemethylamineCyclohexanemethanamine, .alpha.-methyl-, (R)-amino-1-cyclohexylethane(1-Aminoethyl)cyclohexane1-Cyclohexyl-1-ethylamine1-amino-1-cyclohexylethaneSCHEMBL79026

Database identifiers

CAS: 17430-98-7、4352-49-2、54423-01-7、5913-13-3
PubChem CID: 110733
DTXSID: DTXSID901371201
EC Number: 807-762-0
Nikkaji: J346.817H

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 74.6

Physicochemical properties

Melting point: -15 °C · -15°C (estimate)
Boiling point: 60 °C/12 · 60 °C/12 mmHg (lit.)
alpha: 3.5 · 3.5 º (NEAT)
Density: 0.856 g/mL · 0.856 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.4614(lit.)
Flash point: 126 °F · 126 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: liquid
pka: 10.89 · 10.89±0.29(Predicted)
Appearance: Colorless to light yellow Liquid
optical activity: 25 · [α]25/D +3.5°, neat
Sensitive: Air Sensitive
BRN: 2935069 · 2935069
InChI: 1S/C8H17N/c1-7(9)8-5-3-2-4-6-8/h7-8H,2-6,9H2,1H3/t7-/m0/s1
InChIKey: XBWOPGDJMAJJDG-ZETCQYMHSA-N
SMILES: C[C@H](N)C1CCCCC1
CAS DataBase Reference: 17430 · 17430-98-7(CAS DataBase Reference)
NIST Chemistry Reference: -1 · (S)-(+)-1-Cyclohexylethylamine(17430-98-7)
UNSPSC Code: 12352116 · 12352116
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05,GHS09
Signal word: Danger
Hazard statements: 226 · H226-H314-H411
Precautionary statements: 273 · P273-P280-P305+P351+P338-P310
Hazard Codes: C,N
Risk Statements: 10 · 10-34-51/53
Safety Statements: 16 · 16-26-36/37/39-45-61
RIDADR: 2734 · UN 2734 8/PG 2
WGK Germany: 3 · 3
F: 3 · 3-10-34
HS Code: 2921.3 · 2921.30.5000
HazardClass: 8 · 8
PackingGroup: II
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Aquatic Chronic 2Flam. Liq. 3Skin Corr. 1B

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (75%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.