chempirical

Aniline

C6H7NCAS 62-53-393.13 g/mol

Open in Covalent MOL file
H2N
Primary amine

Properties

Molecular formula
C6H7N
Molar mass
93.13 g/mol
Exact mass
93.0578 Da
Density
1.0217 g/mL (at 20 °C)
Melting point
−6 °C
Boiling point
184.1 °C
logP
1.27Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
62-53-3
SMILES
Nc1ccccc1
InChIKey
PAYRUJLWNCNPSJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2

Weigh it out

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

Names and synonyms

9 names
  • Benzenamine
  • C.I. 76000
  • Aminophen
  • Benzene, amino-
  • Blue oil
  • Phenylamine
  • Anyvim
  • Aminobenzene
  • NCI 176889

Work with Aniline

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Benzenamine hydrochloride (1:1)142-04-180 % similar 4-Aminobiphenyl92-67-165 % similar Aniline sulfate542-16-557 % similar 4-Benzylaniline1135-12-255 % similar (4-Aminophenoxy)benzene139-59-355 % similar 3-Aminobiphenyl2243-47-255 % similar Aniline yellow60-09-355 % similar 4-Aminostilbene834-24-255 % similar

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

Same formula

4-Methylpyridine108-89-4 3-Methylpyridine108-99-6 2-Methylpyridine109-06-8 2-Methylpyridine1333-41-1 5-Hexynenitrile14918-21-9 3-Methylenecyclobutanecarbonitrile15760-35-7 Polyaniline25233-30-1 Benzen-2,3,4,5,6-D5-amine4165-61-1

Elsewhere

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