4-N-butyl-2-N,2-N-diethyl-6-methyl-1,3,5-triazine-2,4-diamine
Basic information
- CAS
27431-11-4- Standard SMILES
CCCCNc1nc(C)nc(N(CC)CC)n1- InChIKey
WPLRBYGVQLEGSZ-UHFFFAOYSA-N- Molecular formula
- C12H23N5
- Average molar mass
- 237.34 g/mol
- Monoisotopic mass
- 237.19534575
Names & identifiers
- Preferred name
- 4-N-butyl-2-N,2-N-diethyl-6-methyl-1,3,5-triazine-2,4-diamine
- IUPAC
- 4-N-butyl-2-N,2-N-diethyl-6-methyl-1,3,5-triazine-2,4-diamine
Names & synonyms
4-N-butyl-2-N,2-N-diethyl-6-methyl-1,3,5-triazine-2,4-diamine27431-11-4DTXSID40275073N~4~-Butyl-N~2~,N~2~-diethyl-6-methyl-1,3,5-triazine-2,4-diamine
Database identifiers
- CAS
27431-11-4- PubChem CID
- 33831
- DTXSID
DTXSID40275073- Nikkaji
- J1.612.147I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 195
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Compound notes
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