Benzenemethanamine, N-butyl-3,4-dichloro-

HCID 485439

Notes Reactions

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Basic information

CAS: 23530-78-1
Standard SMILES: CCCCNCc1ccc(Cl)c(Cl)c1
InChIKey: YVZJVLADBODSAQ-UHFFFAOYSA-N
Molecular formula: C11H15Cl2N
Average molar mass: 232.15 g/mol
Monoisotopic mass: 231.05815484

Names & identifiers

Preferred name: Benzenemethanamine, N-butyl-3,4-dichloro-
IUPAC: N-[(3,4-dichlorophenyl)methyl]butan-1-amine

Names & synonyms

Benzenemethanamine, N-butyl-3,4-dichloro-N-[(3,4-dichlorophenyl)methyl]butan-1-amine60509-37-7BUTYL[(3,4-DICHLOROPHENYL)METHYL]AMINE23530-78-1N-(3,4-Dichlorobenzyl)butan-1-amineMFCD07407516CHEMBL1178102SCHEMBL14058901butyl-(3,4-dichlorobenzyl)amineDTXSID70946289YVZJVLADBODSAQ-UHFFFAOYSA-N

Show more names

AKOS000234965EN300-168499A1-06050

Database identifiers

CAS: 23530-78-1、60509-37-7
PubChem CID: 485439
DTXSID: DTXSID70946289
ChEMBL: CHEMBL1178102

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 152

Related reactions

2 records

New reaction record

HRID 528887As productuspto-grants-2016_05

HRID 528936As reactantuspto-grants-2016_05

Compound notes

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