Phenylmethyl hydrazinecarboxylate

C8H10N2O2CAS 5331-43-1166.18 g/mol

Open in Covalent MOL file
H2NNHOO
HydrazonePrimary amine

Properties

Molecular formula
C8H10N2O2
Molar mass
166.18 g/mol
Exact mass
166.0742 Da
Melting point
69–70 °C
logP
0.99Crippen estimate
Polar surface area
67.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 86 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P305+P354+P338, P317, P319, P330, P337+P317, P501

Identifiers

CAS number
5331-43-1
SMILES
NN=C(O)OCc1ccccc1
InChIKey
RXUBZLMIGSAPEJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O2/c9-10-8(11)12-6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)

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Names and synonyms

13 names · show all
  • Hydrazinecarboxylic acid, phenylmethyl ester
  • Carbazic acid, benzyl ester
  • Benzyloxycarbonyl hydrazide
  • Benzyl carbazate
  • [(Benzyloxy)carbonyl]hydrazine
  • Carbobenzoxyhydrazide
  • Benzyl hydrazinocarboxylate
  • Carbobenzyloxyhydrazine
  • NSC 2287
  • Benzyl hydrazinecarboxylate
  • Hydrazincarboxylic acid benzyl ester
  • Hydrazinecarboxylic acid benzyl ester
  • N-(Benzyloxycarbonyl)hydrazine

Work with Phenylmethyl hydrazinecarboxylate

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-hydroxycarbamate3426-71-966 % similar Benzyloxycarbonylglycine1138-80-355 % similar Phenylmethyl N-(2-amino-2-oxoethyl)carbamate949-90-655 % similar N-(Benzyloxycarbonyl)-β-alanine2304-94-153 % similar 1-[[(Phenylmethoxy)carbonyl]amino]cyclopropanecarboxylic acid84677-06-553 % similar N-Benzyloxycarbonyl-1,4-butanediamine hydrochloride18807-73-352 % similar N-[(Phenylmethoxy)carbonyl]-L-threonine phenylmethyl ester16597-50-552 % similar 3-Amino-N-((phenylmethoxy)carbonyl)-D-alanine62234-37-151 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N,N-Dimethyl-4-nitroaniline100-23-2 2,3-Diaminobenzoic acid methyl ester107582-20-7 Ethyl 2-aminopyridine-3-carboxylate13362-26-0 Ethyl 2-aminopyridine-4-carboxylate13362-30-6 Ethyl 3-aminoisonicotinate14208-83-4 2,4-Dimethyl-6-nitroaniline1635-84-3 Beta-(2-pyridyl)-dl-alanine17407-39-5 3-Amino-4-methoxybenzamide17481-27-5

Elsewhere

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