Basic information
- CAS
1227581-91-0- Standard SMILES
Nc1ccnc(C(F)(F)F)c1N- InChIKey
UVPXDGMMAFWHMJ-UHFFFAOYSA-N- Molecular formula
- C6H6F3N3
- Average molar mass
- 177.13 g/mol
- Monoisotopic mass
- 177.05138169
Names & identifiers
- Preferred name
- 2-(Trifluoromethyl)pyridine-3,4-diamine
- IUPAC
- 2-(trifluoromethyl)pyridine-3,4-diamine
- English name
- 3,4-Diamino-2-(trifluoromethyl)pyridine
- Molecular formula
- C6H6F3N3
- Molecular weight
- 177.13
Names & synonyms
2-(trifluoromethyl)pyridine-3,4-diamine1227581-91-03,4-diamino-2-(trifluoromethyl)pyridine3,4-Pyridinediamine, 2-(trifluoromethyl)-SCHEMBL157196UVPXDGMMAFWHMJ-UHFFFAOYSA-NDTXSID5012781202-(Trifluoromethyl)-3,4-pyridinediamineDB-216562EN300-7828242
Database identifiers
- CAS
1227581-91-0- PubChem CID
- 54374632
- DTXSID
DTXSID501278120
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Chemistry & industry
Suppliers4 total
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
苏州键合化学试剂有限公司0512-69561983 13914027025 · [email protected]
苏州美诺医药科技有限公司0512-69561983 13914027025 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…