Basic information
- CAS
156136-65-1- Standard SMILES
Cc1ccc(C)c(NCn2nnc3ccccc32)c1- InChIKey
ZKSPWMAGTDOLFZ-UHFFFAOYSA-N- Molecular formula
- C15H16N4
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.13749653
Names & identifiers
- Preferred name
- N-(2,5-Dimethylphenyl)-1H-benzotriazole-1-methanamine
- IUPAC
- N-(benzotriazol-1-ylmethyl)-2,5-dimethylaniline
Names & synonyms
156136-65-1N-(2,5-Dimethylphenyl)-1H-benzotriazole-1-methanamineRefChem:360194CBMicro_016873N-(benzotriazol-1-ylmethyl)-2,5-dimethylanilineOprea1_055162Oprea1_787047SCHEMBL8998833DTXSID801215143CCG-5894AKOS000514057BIM-0016873.P001
Show more names
ST50216156(benzotriazolylmethyl)(2,5-dimethylphenyl)amineAE-018/31865044N-[(1H-Benzotriazol-1-yl)methyl]-2,5-dimethylanilineN-(1H-1,2,3-benzotriazol-1-ylmethyl)-2,5-dimethylaniline(1H-1,2,3-benzotriazol-1-ylmethyl)(2,5-dimethylphenyl)amine
Database identifiers
- CAS
156136-65-1- PubChem CID
- 794331
- DTXSID
DTXSID801215143
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 42.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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