6-Chloro-N2-heptyl-1,3,5-triazine-2,4-diamine
Basic information
- CAS
6642-22-4- Standard SMILES
CCCCCCCNc1nc(N)nc(Cl)n1- InChIKey
BKDHMBVCFDTRLX-UHFFFAOYSA-N- Molecular formula
- C10H18ClN5
- Average molar mass
- 243.74 g/mol
- Monoisotopic mass
- 243.1250733
Names & identifiers
- Preferred name
- 6-Chloro-N2-heptyl-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-chloro-2-N-heptyl-1,3,5-triazine-2,4-diamine
Names & synonyms
6642-22-46-CHLORO-N2-HEPTYL-1,3,5-TRIAZINE-2,4-DIAMINENSC14444DTXSID60985081NSC-144446-Chloro-N~2~-heptyl-1,3,5-triazine-2,4(1H,3H)-diimine
Database identifiers
- CAS
6642-22-4- PubChem CID
- 225262
- DTXSID
DTXSID60985081
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 181
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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