chempirical

Benzyl carbamate

C8H9NO2CAS 621-84-1151.16 g/mol

Open in Covalent MOL file
H2NOO

Properties

Molecular formula
C8H9NO2
Molar mass
151.16 g/mol
Exact mass
151.0633 Da
Melting point
88 °C
Boiling point
130–135 °C (at 0.5 Torr)
logP
1.70Crippen estimate
Polar surface area
53.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
621-84-1
SMILES
N=C(O)OCc1ccccc1
InChIKey
PUJDIJCNWFYVJX-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)

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Names and synonyms

6 names
  • Carbamic acid, phenylmethyl ester
  • Carbamic acid, benzyl ester
  • Carbamyl benzyl ester
  • Benzyl aminoformate
  • NSC 25317
  • O-Benzylcarbamate

Work with Benzyl carbamate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Phenprobamate673-31-467 % similar Felbamate25451-15-455 % similar Benzyl N-hydroxycarbamate3426-71-952 % similar Phenylmethyl N-(2-amino-2-oxoethyl)carbamate949-90-651 % similar Bis(phenylmethyl) carbonate3459-92-550 % similar Phenylmethyl hydrazinecarboxylate5331-43-150 % similar Phenyl carbamate622-46-850 % similar Dibenzyl oxalate7579-36-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Ethyl-4-nitrobenzene100-12-9 N-Phenylglycine103-01-5 Acetaminophen103-90-2 4-(Methylamino)benzoic acid10541-83-0 N-Methylanthranilic acid119-68-6 4-Aminophenylacetic acid1197-55-3 2,6-Dimethyl-4-nitrosophenol13331-93-6 Methyl anthranilate134-20-3

Elsewhere

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