Chlorzymine

HCID 21286
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Basic information

CAS
2520-91-4
Standard SMILES
C#CCN(C)Cc1ccccc1Cl
InChIKey
MHSYOEXUHOXGIY-UHFFFAOYSA-N
Molecular formula
C11H12ClN
Average molar mass
193.67 g/mol
Monoisotopic mass
193.06582706

Overview

RN given refers to parent cpd; structure

Names & identifiers

Preferred name
Chlorzymine
IUPAC
N-[(2-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine

Names & synonyms

2520-91-4Chlorzymine2-Chloro-N-methyl-N-(2-propynyl)benzenemethanamineRefChem:125592Benzylamine, o-chloro-N-methyl-N-2-propynyl-[(2-chlorophenyl)methyl](methyl)(prop-2-yn-1-yl)amineN-[(2-chlorophenyl)methyl]-N-methylprop-2-yn-1-amineCHEMBL4572130n-(2-Chlorobenzyl)-N-methylprop-2-yn-1-amineBenzenemethanamine, 2-chloro-N-methyl-N-(2-propynyl)-DTXSID20948056MHSYOEXUHOXGIY-UHFFFAOYSA-N
Show more names
BDBM50522063AKOS009028619EBC-612644CS-0266273N-(2-chlorobenzyl)-N-methyl-2-propinylamineEN300-110273Z103865430

Database identifiers

CAS
2520-91-4
PubChem CID
21286
DTXSID
DTXSID20948056
ChEMBL
CHEMBL4572130

Properties

Computed structural propertiesFilling in

XLogP
2.5
Topological polar surface area
3.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
13

Related reactions

1 records
New reaction record

Compound notes

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