Glycine, N-cyclohexyl-

HCID 42810

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Basic information

CAS: 58695-41-3
Standard SMILES: O=C(O)CNC1CCCCC1
InChIKey: OQMYZVWIXPPDDE-UHFFFAOYSA-N
Molecular formula: C8H15NO2
Average molar mass: 157.21 g/mol
Monoisotopic mass: 157.11027872

Names & identifiers

Preferred name: Glycine, N-cyclohexyl-
IUPAC: 2-(cyclohexylamino)acetic acid
English name: N-Cyclohexylglycine
Molecular formula: C8H15NO2
Molecular weight: 157.21

Names & synonyms

N-CYCLOHEXYLGLYCINEGlycine, N-cyclohexyl-BRN 2085015DTXSID002073900-12-00-00007 (Beilstein Handbook Reference)NSC 195679RefChem:346558DTXCID001298812-(cyclohexylamino)acetic acid58695-41-3NSC-195679hexahydrophenylglycine

Show more names

Cyclohexylaminoacetic acid

NSC195679N-Cyclohexyl Glycineracemic cyclohexylglycineHNZ6QM5BWX(cyclohexylamino)acetic acid2-(cyclohexylamino)aceticacidSCHEMBL122347SCHEMBL27773909

Database identifiers

CAS: 58695-41-3
PubChem CID: 42810
DTXSID: DTXSID00207390
UNII: HNZ6QM5BWX
EC Number: 109-922-9
Nikkaji: J85.235J

Properties

Computed structural properties

XLogP: -0.9
Topological polar surface area: 49.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 130

Physicochemical properties

Melting point: 227 · 227-228 °C (decomp)
Boiling point: 281.88 °C · 281.88°C (rough estimate)
Density: 1.0806 · 1.0806 (rough estimate)
refractive index: 1.459 · 1.4590 (estimate)
pka: 2.37 · 2.37±0.10(Predicted)
FDA UNII: 6 QM5BWX · HNZ6QM5BWX

Safety & regulation

GHS classification

GHS Classification · 4 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.