chempirical

2-Chlorobenzylamine

C7H8ClNCAS 89-97-4141.60 g/mol

Open in Covalent MOL file
H2NCl
Aryl halidePrimary amine

Properties

Molecular formula
C7H8ClN
Molar mass
141.60 g/mol
Exact mass
141.0345 Da
Melting point
227–228 °C
Boiling point
211–213 °C (at 14 Torr)
logP
1.80Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
89-97-4
SMILES
NCc1ccccc1Cl
InChIKey
KDDNKZCVYQDGKE-UHFFFAOYSA-N
InChI
InChI=1S/C7H8ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2

Weigh it out

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

Names and synonyms

8 names
  • Benzenemethanamine, 2-chloro-
  • Benzylamine, o-chloro-
  • 2-Chlorobenzenemethanamine
  • o-Chlorobenzylamine
  • 1-(2-Chlorophenyl)methanamine
  • NSC 60118
  • (2-Chlorophenyl)methanamine
  • α-Amino-2-chlorotoluene

Work with 2-Chlorobenzylamine

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

3-Chloro-2-fluorobenzenemethanamine72235-55-363 % similar 2-(2-Chlorophenyl)ethylamine13078-80-362 % similar 2,5-Dichlorobenzylamine10541-69-259 % similar 2,4-Dichlorobenzenemethanamine95-00-159 % similar 2-Chlorobenzyl chloride611-19-856 % similar 2-Chloro-5-fluorobenzenemethanamine202522-23-455 % similar 2-Chlorobenzyl alcohol17849-38-654 % similar 2-Chlorobenzyl mercaptan39718-00-854 % similar

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

Same formula

4-Chlorobenzylamine104-86-9 3-Chloro-5-methylbenzenamine29027-20-1 3-Chlorobenzylamine4152-90-3 2-Chloro-4-methylaniline615-65-6 4-Chloro-3-methylaniline7149-75-9 3-Chloro-2-methylaniline87-60-5 2-Chloro-6-methylaniline87-63-8 4-Chloro-N-methylbenzenamine932-96-7

Elsewhere

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