4-(((Benzyloxy)(hydroxy)methylidene)amino)cyclohexane-1-carboxylic acid

HCID 285247

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Basic information

CAS: 220851-34-3
Standard SMILES: O=C(NC1CCC(C(=O)O)CC1)OCc1ccccc1
InChIKey: ZVMICQYOGWAOSU-UHFFFAOYSA-N
Molecular formula: C15H19NO4
Average molar mass: 277.31 g/mol
Monoisotopic mass: 277.13140809

Names & identifiers

Preferred name: 4-(((Benzyloxy)(hydroxy)methylidene)amino)cyclohexane-1-carboxylic acid
IUPAC: 4-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
English name: Z-1,4-cis-achc-OH
Molecular formula: C15H19NO4
Molecular weight: 277.32

Names & synonyms

67299-52-9DTXSID309865604-(((Benzyloxy)(hydroxy)methylidene)amino)cyclohexane-1-carboxylic acid4-{[(Benzyloxy)(hydroxy)methylidene]amino}cyclohexane-1-carboxylic acidRefChem:1069618DTXCID40141374334771-04-5trans-4-(Carbobenzoxyamino)cyclohexanecarboxylic Acid220851-34-3Z-1,4-CIS-ACHC-OHtrans-4-(((Benzyloxy)carbonyl)amino)cyclohexanecarboxylic acidZ-Trans-4-aminocyclohexanecarboxylic acid

Show more names

Z-CIS-4-AMINOCYCLOHEXANECARBOXYLIC ACIDlithium 2-amino-1,3-benzothiazole-6-sulfonateCIS-4-(CARBOBENZOXYAMINO)CYCLOHEXANECARBOXYLIC ACIDCIS-4-BENZYLOXYCARBONYLAMINOCYCLOHEXANECARBOXYLIC ACIDCIS-1-(BENZYLOXYCARBONYL-AMINO)-CYCLOHEXYL-4-CARBOXYLIC ACID(1s,4s)-4-(benzyloxycarbonylaMino)cyclohexanecarboxylic acidcis-4-(((Benzyloxy)carbonyl)amino)cyclohexane-1-carboxylic acidcis-4-[[(Phenylmethoxy)carbonyl]amino]cyclohexanecarboxylic acidCyclohexanecarboxylic acid, 4-[[(phenylmethoxy)carbonyl]amino]-, cis-

cis-4-(((Benzyloxy)carbonyl)amino)cyclohexanecarboxylic acidtrans-4-(Cbz-amino)cyclohexanecarboxylic Acid4-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acidMFCD01550737MFCD01880738trans-4-(benzyloxycarbonylamino)cyclohexanecarboxylic acid4-(benzyloxycarbonylamino)cyclohexanecarboxylic acid(1R,4R)-4-{[(BENZYLOXY)CARBONYL]AMINO}CYCLOHEXANE-1-CARBOXYLIC ACID

Database identifiers

CAS: 220851-34-3、67299-52-9
PubChem CID: 285247
DTXSID: DTXSID30986560
ChEMBL: CHEMBL1544766、CHEMBL1586657、CHEMBL1905999
EC Number: 879-723-6
Nikkaji: J2.646.096D

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 75.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 331

Physicochemical properties

Boiling point: 484.7 · 484.7±44.0 °C(Predicted)
Density: 1.22 · 1.22±0.1 g/cm3(Predicted)
pka: 4.88 · 4.88±0.25(Predicted)
Water Solubility: Soluble in water.
Symbol(GHS): 7 · GHS07
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a

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)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.