2-Amino-2-cyclohexylpropanoic acid
Basic information
- CAS
6635-13-8- Standard SMILES
CC(N)(C(=O)O)C1CCCCC1- InChIKey
YXQOVXILWFIANY-UHFFFAOYSA-N- Molecular formula
- C9H17NO2
- Average molar mass
- 171.24 g/mol
- Monoisotopic mass
- 171.12592879
Names & identifiers
- Preferred name
- 2-Amino-2-cyclohexylpropanoic acid
- IUPAC
- 2-amino-2-cyclohexylpropanoic acid
- English name
- a-AMino-a-Methyl-cyclohexaneacetic acid
- Molecular formula
- C9H17NO2
- Molecular weight
- 171.23678
Names & synonyms
2-amino-2-cyclohexylpropanoic acid6635-13-8MFCD02662641a-Amino-a-methyl-cyclohexaneacetic acidNSC32109H-DL-alpha-cHex-Ala-OHSCHEMBL435927Cyclohexaneacetic acid, a-amino-a-methyl-, (A+/-)-2-amino-2-cyclohexylpropanoicacidFBA358612-amino-2-cyclohexyl-propanoic acidNSC-32109
Show more names
Cyclohexaneacetic acid, α-amino-α-methyl-
AKOS012624776AS-67694SY525831CS-0186531EN300-70290alpha-Amino-alpha-methyl-cyclohexaneacetic acidC76087Cyclohexaneacetic acid, alpha-amino-alpha-methyl-
Database identifiers
- CAS
6635-13-8- PubChem CID
- 233532
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Boiling point
- 297.8 · 297.8±23.0 °C(Predicted)
- Density
- 1.108 · 1.108±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 2.31 · 2.31±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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