2-Methyl-1-(4-methylphenyl)propan-2-yl alaninate--hydrogen bromide (1/1)
Basic information
- CAS
66171-56-0- Standard SMILES
Cc1ccc(CC(C)(C)OC(=O)C(C)[NH3+])cc1.[Br-]- InChIKey
VMOCOSXRHJRYKS-UHFFFAOYSA-N- Molecular formula
- C14H22BrNO2
- Average molar mass
- 316.23 g/mol
- Monoisotopic mass
- 315.08339
Names & identifiers
- Preferred name
- 2-Methyl-1-(4-methylphenyl)propan-2-yl alaninate--hydrogen bromide (1/1)
- IUPAC
- [1-[2-methyl-1-(4-methylphenyl)propan-2-yl]oxy-1-oxopropan-2-yl]azanium bromide
Names & synonyms
66171-56-0DTXSID109846602-Methyl-1-(4-methylphenyl)propan-2-yl alaninate--hydrogen bromide (1/1)RefChem:1063638DTXCID5014118711,1-Dimethyl-2-(4-methylphenyl)ethyl 2-aminopropanoate hydrobromideALANINE, 1,1-DIMETHYL-2-(4-METHYLPHENYL)ETHYL ESTER, HYDROBROMIDE
Database identifiers
- CAS
66171-56-0- PubChem CID
- 47843
Properties
Computed structural properties
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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