Basic information
- CAS
51-13-8- Standard SMILES
CN=C(NC)NCc1ccccc1Cl- InChIKey
JCHVEDXZLFQDSL-UHFFFAOYSA-N- Molecular formula
- C10H14ClN3
- Average molar mass
- 211.69 g/mol
- Monoisotopic mass
- 211.0876252
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- N-((2-Chlorophenyl)methyl)-N',N''-dimethylguanidine
- IUPAC
- 1-[(2-chlorophenyl)methyl]-2,3-dimethylguanidine
- English name
- behenyltrimethylammonium methosulfate
- Molecular formula
- C10H14ClN3
- Molecular weight
- 211.69
Names & synonyms
BW 392C6051-13-8DTXSID00198996N-((2-Chlorophenyl)methyl)-N',N''-dimethylguanidineN-[(2-Chlorophenyl)methyl]-N',N''-dimethylguanidineRefChem:926529DTXCID60121487BW-392C60Guanidine, 1-(o-chlorobenzyl)-2,3-dimethyl-ChlorobethanidineChlorobetanidine1-[(2-chlorophenyl)methyl]-2,3-dimethylguanidine
Show more names
behenyltrimethylammonium methosulfateN-(2-Chlorobenzyl)-N',N''-dimethylguanidineGuanidine, N-[(2-chlorophenyl)methyl]-N',N''-dimethyl-
SCHEMBL973274CHEMBL4941091NIOSH/ME9300000Guanidine, N-((2-chlorophenyl)methyl)-N',N''-dimethyl-2-(o-Chlorobenzyl)-1,3-dimethylguanidineME93000000Guanidine, 2-(o-chlorobenzyl)-1,3-dimethyl-
Database identifiers
- CAS
51-13-8- PubChem CID
- 6313
- DTXSID
DTXSID00198996- ChEMBL
CHEMBL4941091- Nikkaji
- J326.236G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- Boiling point
- 296.3 · 296.3±42.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 12.11 · 12.11±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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