N-Carbobenzoxyaminoacetonitrile

C10H10N2O2CAS 3589-41-1190.20 g/mol

Open in Covalent MOL file
OOHNN
CarbamateNitrile

Properties

Molecular formula
C10H10N2O2
Molar mass
190.20 g/mol
Exact mass
190.0742 Da
logP
1.44Crippen estimate
Polar surface area
62.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
3589-41-1
SMILES
C1=CC=C(C=C1)COC(=O)NCC#N
InChIKey
DVUXKEFDAGQPQU-UHFFFAOYSA-N
InChI
InChI=1S/C10H10N2O2/c11-6-7-12-10(13)14-8-9-4-2-1-3-5-9/h1-5H,7-8H2,(H,12,13)

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Names and synonyms

1 names
  • Benzyl cyanomethylcarbamate

Work with N-Carbobenzoxyaminoacetonitrile

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

Benzyl N-(2-hydroxyethyl)carbamate77987-49-661 % similar Benzyl (3-Oxopropyl)carbamate65564-05-860 % similar Benzyl N-(3-hydroxypropyl)carbamate34637-22-456 % similar Benzyl N-(2-aminoethyl)carbamate hydrochloride18807-71-155 % similar N-Benzyloxycarbonylglycine thioamide49548-40-555 % similar 3-(Cbz-amino)-azetidine914348-04-253 % similar Benzyl N-(3-aminopropyl)carbamate hydrochloride17400-34-952 % similar Potassium benzyl N-[2-(trifluoroboranuidyl)ethyl]carbamate926280-84-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 4-amino-6-indolecarboxylate121561-15-7 3-Benzoimidazol-1-yl-propionic acid14840-18-7 Ethyl pyrazolo(1,5-a)pyridine-3-carboxylate16205-44-0 L-4-Cyanophenylalanine167479-78-9 Ethyl 1H-pyrrolo(3,2-b)pyridine-2-carboxylate17288-32-3 1H-Benzoimidazole-2-carboxylic acid ethyl ester1865-09-4 2,3-Dimethyl-5-nitro-1H-indole21296-94-6 1H-Benzimidazole-2-propanoic acid23249-97-0

Elsewhere

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