N-((2-Methylphenyl)methyl)guanidine
Basic information
- CAS
46053-91-2- Standard SMILES
Cc1ccccc1CN=C(N)N- InChIKey
LGGPGRCUXWQIDU-UHFFFAOYSA-N- Molecular formula
- C9H13N3
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.11094743
Names & identifiers
- Preferred name
- N-((2-Methylphenyl)methyl)guanidine
- IUPAC
- 2-[(2-methylphenyl)methyl]guanidine
Names & synonyms
46053-91-2GUANIDINE, (o-METHYLBENZYL)-DTXSID70196702RefChem:1090676DTXCID70119193N-((2-Methylphenyl)methyl)guanidine1-(2-Methylbenzyl)guanidine(o-Methylbenzyl)guanidineBRN 2639991Guanidine, ((2-methylphenyl)methyl)-CHEMBL467884SCHEMBL4014038
Show more names
SCHEMBL8356400MFCD01724045AKOS006032360SY340603N''-[(2-METHYLPHENYL)METHYL]GUANIDINE
Database identifiers
- CAS
46053-91-2- PubChem CID
- 39436
- DTXSID
DTXSID70196702- ChEMBL
CHEMBL467884
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
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Compound notes
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