2-(1-Amino-4,4-difluorocyclohexyl)acetic acid
Basic information
- CAS
769169-46-2- Standard SMILES
NC1(CC(=O)O)CCC(F)(F)CC1- InChIKey
QSMWMMUUZIOOSH-UHFFFAOYSA-N- Molecular formula
- C8H13F2NO2
- Average molar mass
- 193.19 g/mol
- Monoisotopic mass
- 193.09143498
Names & identifiers
- Preferred name
- 2-(1-Amino-4,4-difluorocyclohexyl)acetic acid
- IUPAC
- 2-(1-amino-4,4-difluorocyclohexyl)acetic acid
- English name
- Amino-4,4-difluoro-cyclohexaneacetic acid
- Molecular formula
- C8H13F2NO2
- Molecular weight
- 193.19
Names & synonyms
Cyclohexaneacetic acid,a-amino-4,4-difluoro-2-(1-amino-4,4-difluorocyclohexyl)acetic acid2002343-44-2(1-AMINO-4,4-DIFLUOROCYCLOHEXYL)ACETIC ACIDDTXSID50703736DB-229790EN300-8165652-(1-amino-4,4-difluoro-cyclohexyl)acetic acid2-amino-2-(4,4-difluorocyclohexyl)acetic acida-Amino-4,4-difluoro-cyclohexaneacetic acidAmino-4,4-difluoro-cyclohexaneacetic acidAmino-(4,4-difluorocyclohexyl)acetic acid
Show more names
AMINO-4,4-DIFLU0R0-CYCLOHEXANEACETIC ACIDCyclohexaneacetic acid, α-amino-4,4-difluoro-Alpha.-aMino-4,4-difluoro-Cyclohexaneacetic acid
Database identifiers
- CAS
769169-46-2- PubChem CID
- 53471749
- DTXSID
DTXSID50703736
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 296 · 296.0±20.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 2.37 · 2.37±0.10(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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