Basic information
- CAS
57469-93-9- Standard SMILES
CC([NH3+])C(=O)OC(C)(C)Cc1ccccc1.[Cl-]- InChIKey
BQDDNMGJTZJINH-UHFFFAOYSA-N- Molecular formula
- C13H20ClNO2
- Average molar mass
- 257.75 g/mol
- Monoisotopic mass
- 257.1182566
Names & identifiers
- Preferred name
- 2-Methyl-1-phenylpropan-2-yl alaninate--hydrogen chloride (1/1)
- IUPAC
- [1-(2-methyl-1-phenylpropan-2-yl)oxy-1-oxopropan-2-yl]azanium chloride
Names & synonyms
57469-93-9DTXSID809730012-Methyl-1-phenylpropan-2-yl alaninate--hydrogen chloride (1/1)RefChem:1063653DTXCID5014004601,1-Dimethyl-2-phenylethyl 2-aminopropanoate hydrochlorideALANINE, 1,1-DIMETHYL-2-PHENYLETHYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
57469-93-9- PubChem CID
- 42371
Properties
Computed structural properties
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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