3-Amino-1-(difluoromethyl)cyclobutan-1-ol
Basic information
- CAS
1423034-51-8- Standard SMILES
NC1CC(O)(C(F)F)C1- InChIKey
ZGQODFLUYKNYAB-UHFFFAOYSA-N- Molecular formula
- C5H9F2NO
- Average molar mass
- 137.13 g/mol
- Monoisotopic mass
- 137.06522023
Names & identifiers
- Preferred name
- 3-Amino-1-(difluoromethyl)cyclobutan-1-ol
- IUPAC
- 3-amino-1-(difluoromethyl)cyclobutan-1-ol
- English name
- 3-amino-1-(difluoromethyl)cyclobutan-1-ol
- Molecular formula
- C5H9F2NO
- Molecular weight
- 137.13
Names & synonyms
2728710-16-33-amino-1-(difluoromethyl)cyclobutan-1-olCIS-3-AMINO-1-(DIFLUOROMETHYL)CYCLOBUTANOL1423034-51-83-amino-1-(difluoromethyl)cyclobutanol(1s,3s)-3-amino-1-(difluoromethyl)cyclobutan-1-olMFCD34562535rel-(1r,3r)-3-Amino-1-(difluoromethyl)cyclobutan-1-olYQF1264DTXSID001270090AKOS019178433Cyclobutanol, 3-amino-1-(difluoromethyl)-
Show more names
CS-0353215EN300-115277F93424EN300-37099697(1r,3r)-3-amino-1-(difluoromethyl)cyclobutan-1-olcis-3-amino-1-(difluoromethyl)cyclobutanol - [A86222]
Database identifiers
- CAS
1423034-51-8- PubChem CID
- 71756935
- DTXSID
DTXSID001270090
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 112
Physicochemical properties
- Boiling point
- 178.8 · 178.8±35.0 °C(Predicted)
- Density
- 1.319 · 1.319±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 12.83 · 12.83±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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