Basic information
- CAS
791061-00-2- Standard SMILES
NC1CC(F)(F)C1- InChIKey
RKATWUBDSJHPEV-UHFFFAOYSA-N- Molecular formula
- C4H7F2N
- Average molar mass
- 107.1 g/mol
- Monoisotopic mass
- 107.05465555
Names & identifiers
- Preferred name
- 3,3-Difluorocyclobutan-1-amine
- IUPAC
- 3,3-difluorocyclobutan-1-amine
- English name
- Cyclobutanamine, 3,3-difluoro- (9CI)
- Molecular formula
- C4H7F2N
- Molecular weight
- 107.1
Names & synonyms
791061-00-23,3-difluorocyclobutan-1-amineDTXSID70626276RefChem:270278DTXCID405770293,3-DIFLUOROCYCLOBUTANAMINECYCLOBUTANAMINE, 3,3-DIFLUORO-1-Amino-3,3-difluorocyclobutaneMFCD118697183,3-difluorocyclobutylamineC4H7F2NKX24UH45GN
Show more names
OBUTANAMINE3,3-DIFLUROCYCLOBUTANAMINECyclobutanamine, 3,3-difluoro- (9CI)3,3-difluorocyclobutanaMine dihydrochloride
UNII-KX24UH45GNSCHEMBL761443ALBB-0378713,3-DIFLUORO-CYCLOBUTYLAMINEAKOS015919666AB64937BS-12734SY039188
Database identifiers
- CAS
791061-00-2- PubChem CID
- 22500951
- DTXSID
DTXSID70626276- UNII
- KX24UH45GN
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 73
Physicochemical properties
- Boiling point
- 83 ℃ · 83℃
- Density
- 1.17 · 1.17
- Flash point
- -11 ℃ · -11℃
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- pka
- 8.75 · 8.75±0.40(Predicted)
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C4H7F2N/c5-4(6)1-3(7)2-4/h3H,1-2,7H2
- InChIKey
- RKATWUBDSJHPEV-UHFFFAOYSA-N
- SMILES
- C1(N)CC(F)(F)C1
- FDA UNII
- 24 UH45GN · KX24UH45GN
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses3,3-Difluorocyclobutylamine is an amine derivative used as a pharmaceutical intermediate.
Upstream & downstream products
Downstream products
Suppliers66 total
上海康恩博医药科技有限公司17510465506 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
Related reactions
6 records
Compound notes
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