4-[[2-amino-4-(dimethylamino)phenyl]methyl]-3-N,3-N,6-trimethylbenzene-1,3-diamine
Basic information
- CAS
7470-79-3- Standard SMILES
Cc1cc(Cc2ccc(N(C)C)cc2N)c(N(C)C)cc1N- InChIKey
XCPLWMLWHBJEHR-UHFFFAOYSA-N- Molecular formula
- C18H26N4
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.21574685
Names & identifiers
- Preferred name
- 4-[[2-amino-4-(dimethylamino)phenyl]methyl]-3-N,3-N,6-trimethylbenzene-1,3-diamine
- IUPAC
- 4-[[2-amino-4-(dimethylamino)phenyl]methyl]-3-N,3-N,6-trimethylbenzene-1,3-diamine
Names & synonyms
7470-79-3NSC4024464-[[2-amino-4-(dimethylamino)phenyl]methyl]-3-N,3-N,6-trimethylbenzene-1,3-diamineDTXSID10322947NSC-4024466-{[2-Amino-4-(dimethylamino)phenyl]methyl}-N~1~,N~1~,4-trimethylbenzene-1,3-diamine
Database identifiers
- CAS
7470-79-3- PubChem CID
- 345115
- DTXSID
DTXSID10322947
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 58.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 344
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Compound notes
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