4-(2-chloroethyl)-N-propyl-6-(trichloromethyl)-1,3,5-triazin-2-amine
Basic information
- CAS
24802-95-7- Standard SMILES
CCCNc1nc(CCCl)nc(C(Cl)(Cl)Cl)n1- InChIKey
FWXBVTAFCNIETG-UHFFFAOYSA-N- Molecular formula
- C9H12Cl4N4
- Average molar mass
- 318 g/mol
- Monoisotopic mass
- 315.981607
Names & identifiers
- Preferred name
- 4-(2-chloroethyl)-N-propyl-6-(trichloromethyl)-1,3,5-triazin-2-amine
- IUPAC
- 4-(2-chloroethyl)-N-propyl-6-(trichloromethyl)-1,3,5-triazin-2-amine
Names & synonyms
4-(2-chloroethyl)-N-propyl-6-(trichloromethyl)-1,3,5-triazin-2-amine24802-95-7DTXSID70274973
Database identifiers
- CAS
24802-95-7- PubChem CID
- 32625
- DTXSID
DTXSID70274973- Nikkaji
- J1.611.457J
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 224
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Compound notes
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