CAS 130396-60-0 Benzyl (3-hydroxycyclobutyl)carbamate (HCID 19794302)

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Basic information

CAS: 130396-60-0
Standard SMILES: O=C(NC1CC(O)C1)OCc1ccccc1
InChIKey: BCFMGQOQYWGLIL-UHFFFAOYSA-N
Molecular formula: C12H15NO3
Average molar mass: 221.25 g/mol
Monoisotopic mass: 221.10519334

Names & identifiers

Preferred name: Benzyl (3-hydroxycyclobutyl)carbamate
IUPAC: benzyl N-(3-hydroxycyclobutyl)carbamate
English name: cis-Benzyl 3-hydroxycyclobutylcarbaMate
Molecular formula: C12H15NO3
Molecular weight: 221.25

Names & synonyms

130396-60-0benzyl (3-hydroxycyclobutyl)carbamateDTXSID10599995RefChem:1079406DTXCID60550753cis-Benzyl 3-hydroxycyclobutylcarbamate1403766-86-8937376-05-1trans-Benzyl 3-hydroxycyclobutylcarbamateBENZYL N-(3-HYDROXYCYCLOBUTYL)CARBAMATEBENZYL 3-HYDROXYCYCLOBUTYLCARBAMATEBenzyl (cis-3-hydroxycyclobutyl)carbamate

Show more names

benzyl ((1s,3s)-3-hydroxycyclobutyl)carbamatecis-3-(Cbz-amino)cyclobutanol(Cis)-benzyl 4-aminocyclohexylcarbamatecis-Benzyl 3-hydroxycyclobutylcarbamate - B11901rel-benzyl ((1s,3s)-3-hydroxycyclobutyl)carbamate

benzyl (trans-3-hydroxycyclobutyl)carbamate(3-Hydroxy-cyclobutyl)-carbamic acid benzyl esterMFCD17011810MFCD23106304MFCD23106305Carbamic acid, N-(cis-3-hydroxycyclobutyl)-, phenylmethyl esterCarbamic acid, (3-hydroxycyclobutyl)-, phenylmethyl ester (9CI)3-(Cbz-amino)cyclobutanol

Database identifiers

CAS: 130396-60-0、1403766-86-8

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 232

Physicochemical properties

Boiling point: 402.877 · 402.877±44.00 °C(Press: 760.00 Torr)(predicted)
Density: 1.231 · 1.231±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.: 2 · 2-8°C, sealed storage, away from moisture
pka: 11.982 · 11.982±0.40(predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
HS Code: 2924190090 · 2924190090

Safety & regulation

Safety data

hs_code: 2924190090
Signal word: warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405