Basic information
- CAS
3232-26-6- Standard SMILES
CCCCc1nc(N)nc(N)n1- InChIKey
FMKJZXVUCJWIIV-UHFFFAOYSA-N- Molecular formula
- C7H13N5
- Average molar mass
- 167.21 g/mol
- Monoisotopic mass
- 167.11709544
Names & identifiers
- Preferred name
- 1,3,5-Triazine-2,4-diamine, 6-butyl-
- IUPAC
- 6-butyl-1,3,5-triazine-2,4-diamine
Names & synonyms
6-butyl-1,3,5-triazine-2,4-diamine3232-26-61,3,5-Triazine-2,4-diamine, 6-butyl-AI3-60157DTXSID20186057RefChem:412611DTXCID30108548608-728-6SCHEMBL808441NS00029254
Database identifiers
- CAS
3232-26-6- PubChem CID
- 18602
- DTXSID
DTXSID20186057- EC Number
- 608-728-6
- Nikkaji
- J1.553.427C
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 119
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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