Tert-butyl p-tolylcarbamate

HCID 4935486

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Basic information

CAS: 14618-59-8
Standard SMILES: Cc1ccc(NC(=O)OC(C)(C)C)cc1
InChIKey: GNUJXPOJGTXSEZ-UHFFFAOYSA-N
Molecular formula: C12H17NO2
Average molar mass: 207.27 g/mol
Monoisotopic mass: 207.12592878

Names & identifiers

Preferred name: Tert-butyl p-tolylcarbamate
IUPAC: tert-butyl N-(4-methylphenyl)carbamate
English name: tert-Butyl N-(4-Methylphenyl)carbaMate
Molecular formula: C12H17NO2
Molecular weight: 207.27

Names & synonyms

tert-butyl p-tolylcarbamate14618-59-8tert-butyl N-(4-methylphenyl)carbamateMFCD07127718Carbamic acid, N-(4-methylphenyl)-, 1,1-dimethylethyl estertert-butyl (4-methylphenyl)carbamatep-tolyl-carbamic acid tert-butyl ester4-Me-Ph-NHBocN-Boc-4-methylaniline4-(Boc-amino)-toluenetert-butylp-tolylcarbamateSCHEMBL178373

Show more names

ert-butylN-(4-methylphenyl)carbamate

SCHEMBL1922120SCHEMBL4791764SCHEMBL28739393tert-butyl N-(p-tolyl)carbamateCarbamic acid, (4-methylphenyl)-, 1,1-dimethylethyl esterDTXSID50406851GNUJXPOJGTXSEZ-UHFFFAOYSA-NPAA61859

Database identifiers

CAS: 14618-59-8
PubChem CID: 4935486
DTXSID: DTXSID50406851
Nikkaji: J432.130H

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 212

Physicochemical properties

Melting point: 92 · 92-92.8 °C
Boiling point: 255.3 · 255.3±19.0 °C(Predicted)
Density: 1.064 · 1.064±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 13.87 · 13.87±0.70(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338