CAS 37631-92-8 2-(1-Aminocyclohexyl)acetic acid hydrochloride (HCID 4426693)

Substructure search Find similar structures

Basic information

CAS: 37631-92-8
Standard SMILES: NC1(CC(=O)O)CCCCC1
InChIKey: JTBWDIQPPZCDHV-UHFFFAOYSA-N
Molecular formula: C8H15NO2
Average molar mass: 157.21 g/mol

Names & identifiers

Preferred name: 2-(1-Aminocyclohexyl)acetic acid hydrochloride
IUPAC: 2-(1-aminocyclohexyl)acetic acid
English name: 2-(1-AMinocyclohexyl)acetic acid
Molecular formula: C8H15NO2
Molecular weight: 157.21

Names & synonyms

37631-92-8RefChem:450807684-512-5685-683-92-(1-Aminocyclohexyl)acetic acid hydrochloride2-(1-aminocyclohexyl)acetic acid(1-aminocyclohexyl)acetic acidMFCD022581162-(1-azaniumylcyclohexyl)acetateChemDiv2_003452Cyclohexaneacetic acid, 1-amino-; (1-Aminocyclohexyl)acetic acid(1-AMINO-CYCLOHEXYL)-ACETIC ACID

Show more names

2-(1-Aminocyclohexyl)1-amino-cyclohexaneacetic acidCyclohexaneacetic acid, 1-amino-Gabapentin Impurity : 2-(1-aminocyclohexyl)acetic acid

1-aminocyclohexaneacetic acidSCHEMBL498155(1-aminocyclohexyl) acetic acid2-(1-Aminocyclohexyl)-athansaureJTBWDIQPPZCDHV-UHFFFAOYSA-NHMS1378M20(1-aminocyclohexyl)acetic acid*hclALBB-007475

Database identifiers

CAS: 37631-92-8、37631-99-5
PubChem CID: 4426693
EC Number: 684-512-5、685-683-9
Nikkaji: J2.503.809F

Properties

Computed structural properties

XLogP: -1.3
Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 150

Physicochemical properties

Melting point: 270 °C · 270 °C (decomp)(Solv: acetone (67-64-1))
Boiling point: 294.2 · 294.2±13.0 °C(Predicted)
Density: 1.086 · 1.086±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Methanol (Slightly, Sonicated), Water (Slightly, Sonicated)
form: Solid
pka: 4.72 · 4.72±0.10(Predicted)
color: White to Off-White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
HS Code: 2922498590 · 2922498590

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

Hazard information

Hazard Classes and Categories · 2 items

Skin Irrit. 2 (100%)

Safety data

hs_code: 2922498590
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H335-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications

Uses(1-Aminocyclohexyl)acetic acid is a β-amino acid. β-amino acids and their derivatives have long received widespread attention due to their biological activity and important applications in the pharmaceutical field.