chempirical

3,4-Dichlorobenzenemethanamine

C7H7Cl2NCAS 102-49-8176.04 g/mol

Open in Covalent MOL file
H2NClCl
Aryl halidePrimary amine

Properties

Molecular formula
C7H7Cl2N
Molar mass
176.04 g/mol
Exact mass
174.9956 Da
Melting point
332–333 °C
Boiling point
139–140 °C (at 17 Torr)
logP
2.45Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
102-49-8
SMILES
NCc1ccc(Cl)c(Cl)c1
InChIKey
IXHNFOOSLAWRBQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H7Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2

Weigh it out

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

Names and synonyms

7 names
  • Benzenemethanamine, 3,4-dichloro-
  • Benzylamine, 3,4-dichloro-
  • 3,4-Dichlorobenzylamine
  • (3,4-Dichlorophenyl)methanamine
  • ((3,4-Dichlorophenyl)methyl)amine
  • NSC 25065
  • 1-(3,4-Dichlorophenyl)methanamine

Work with 3,4-Dichlorobenzenemethanamine

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-4-methylbenzylamine67952-93-664 % similar 3-Chloro-4-methoxybenzenemethanamine115514-77-758 % similar 3,4-Dichlorobenzyl chloride102-47-658 % similar 3,4-Dichlorobenzenemethanol1805-32-956 % similar 3,4-Dichlorobenzyl bromide18880-04-156 % similar M-Xylylenediamine1477-55-054 % similar 3-Chloro-4-methoxybenzylamine hydrochloride41965-95-153 % similar 4-Chlorobenzylamine104-86-950 % similar

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

Same formula

2,5-Dichlorobenzylamine10541-69-2 2,6-Dichloro-3-methylaniline64063-37-2 2,4-Dichlorobenzenemethanamine95-00-1

Elsewhere

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