chempirical

Benzyl azide

C7H7N3CAS 622-79-7133.15 g/mol

Open in Covalent MOL file
N−N+N
Azide

Properties

Molecular formula
C7H7N3
Molar mass
133.15 g/mol
Exact mass
133.0640 Da
Density
1.0321 g/mL (at 25 °C)
Melting point
157 °C (decomposes)
Boiling point
82.5 °C (at 16.5 Torr)
logP
2.50Crippen estimate
Polar surface area
48.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
622-79-7
SMILES
[N-]=[N+]=NCc1ccccc1
InChIKey
UDLLFLQFQMACJB-UHFFFAOYSA-N
InChI
InChI=1S/C7H7N3/c8-10-9-6-7-4-2-1-3-5-7/h1-5H,6H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

5 names
  • Benzene, (azidomethyl)-
  • Toluene, α-azido-
  • (Azidomethyl)benzene
  • α-Azidotoluene
  • NSC 26304

Work with Benzyl azide

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 isocyanate3173-56-640 % similar Benzyl isothiocyanate622-78-640 % similar Bibenzyl103-29-739 % similar Dibenzyl sulfide538-74-938 % similar Diphenylmethane101-81-538 % similar 1,3-Diphenylpropane1081-75-038 % similar 4-Benzylthiosemicarbazide13431-41-937 % similar N-Benzylbenzamide1485-70-736 % similar

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

Same formula

1H-Pyrrolo[2,3-B]pyridin-5-ylamine100960-07-4 1H-Pyrazolo[3,4-B]pyridine,3-methyl-(9ci)116834-96-9 1-Methylbenzotriazole13351-73-0 5-Methylbenzotriazole136-85-6 3,4-Diaminobenzonitrile17626-40-3 1H-Indazol-5-amine19335-11-6 1H-Indazol-7-amine21443-96-9 1H-Indazol-6-amine6967-12-0

Elsewhere

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