Basic information
- CAS
159029-29-5- Standard SMILES
NCC(F)(F)CN- InChIKey
HFPPZQKUJWIBJI-UHFFFAOYSA-N- Molecular formula
- C3H8F2N2
- Average molar mass
- 110.11 g/mol
- Monoisotopic mass
- 110.06555459
Names & identifiers
- Preferred name
- 2,2-Difluoropropane-1,3-diamine
- IUPAC
- 2,2-difluoropropane-1,3-diamine
- English name
- 2,2-Difluoropropane-1,3-Diamine
- Molecular formula
- C3H8F2N2
- Molecular weight
- 110.11
Names & synonyms
2,2-DIFLUOROPROPANE-1,3-DIAMINE159029-29-52,2-Difluoro-propane-1,3-diamine2,2-difluoro-1,3-propanediamineSCHEMBL473673C3H8F2N2DTXSID701304876AKOS006338175CS-01117341,3-Diamino-2,2-difluoropropane1,3-Propanediamine, 2,2-difluoro-
Database identifiers
- CAS
159029-29-5- PubChem CID
- 19902652
- DTXSID
DTXSID701304876
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 48
Physicochemical properties
- Boiling point
- 190.9 · 190.9±35.0 °C(Predicted)
- Density
- 1.142 · 1.142±0.06 g/cm3(Predicted)
- pka
- 7.12 · 7.12±0.30(Predicted)
Chemistry & industry
Suppliers6 total
上海策嵘生物科技有限公司[email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
上海氟帝新材料科技有限公司021-31009277 13761216778 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
Related reactions
11 records
Compound notes
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