2-N-butyl-1,3,5-triazine-2,4-diamine
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Basic information
- CAS
4040-08-8- Standard SMILES
CCCCNc1ncnc(N)n1- InChIKey
ZQIZSUKSJPSZTH-UHFFFAOYSA-N- Molecular formula
- C7H13N5
- Average molar mass
- 167.21 g/mol
- Monoisotopic mass
- 167.11709544
Names & identifiers
- Preferred name
- 2-N-butyl-1,3,5-triazine-2,4-diamine
- IUPAC
- 2-N-butyl-1,3,5-triazine-2,4-diamine
- English name
- N-butyl-[1,3,5]triazine-2,4-diamine
- Molecular formula
- C7H13N5
- Molecular weight
- 167.21
Names & synonyms
N-butyl-[1,3,5]triazine-2,4-diamine1,3,5-Triazine-2,4-diamine, N2-butyl-
Database identifiers
- CAS
4040-08-8- PubChem CID
- 71549631
- Nikkaji
- J2.322.941B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- Melting point
- 144 °C · 144 °C
- Boiling point
- 362.5 · 362.5±25.0 °C(Predicted)
- Density
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- pka
- 4.2 · 4.20±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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