Basic information
- CAS
15986-27-3- Standard SMILES
CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCc2ccccc2)cc1.Cl- InChIKey
XQVGEZKECZSCSP-UHFFFAOYSA-N- Molecular formula
- C21H28ClN5
- Average molar mass
- 385.9 g/mol
- Monoisotopic mass
- 385.2033236
Names & identifiers
- Preferred name
- 6,6-Dimethyl-1-[4-(4-phenylbutyl)phenyl]-1,3,5-triazine-2,4-diamine;hydrochloride
- IUPAC
- 6,6-dimethyl-1-[4-(4-phenylbutyl)phenyl]-1,3,5-triazine-2,4-diamine;hydrochloride
Names & synonyms
15986-27-3NSC127153DTXSID10936184NSC-1271536,6-Dimethyl-1-[4-(4-phenylbutyl)phenyl]-1,3,5-triazinane-2,4-diimine--hydrogen chloride (1/1)
Database identifiers
- CAS
15986-27-3- PubChem CID
- 456147
- DTXSID
DTXSID10936184
Properties
Computed structural properties
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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