Basic information
- CAS
312916-35-1- Standard SMILES
CC(=O)NC(Cc1ccc(C)c(C)c1)C(=O)O- InChIKey
GVNSHLZYIVHHJW-UHFFFAOYSA-N- Molecular formula
- C13H17NO3
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.1208434
Names & identifiers
- Preferred name
- 2-(Acetylamino)-3-(3,4-dimethylphenyl)propanoic acid
- IUPAC
- 2-acetamido-3-(3,4-dimethylphenyl)propanoic acid
- English name
- 2-(ACETYLAMINO)-3-(3,4-DIMETHYLPHENYL)PROPANOIC ACID
- Molecular formula
- C13H17NO3
- Molecular weight
- 235.28
Names & synonyms
312916-35-12-(acetylamino)-3-(3,4-dimethylphenyl)propanoic acid2-acetamido-3-(3,4-dimethylphenyl)propanoic acid3-(3,4-DIMETHYLPHENYL)-2-ACETAMIDOPROPANOIC ACID218594-63-9Maybridge3_007445N-Acetyl-3,4-dimethyl-L-phenylalanineSCHEMBL6133113DTXSID30372641GVNSHLZYIVHHJW-UHFFFAOYSA-NHMS1452C22N-Acetyl-3,4-dimethylphenylalanine
Show more names
L-Phenylalanine, N-acetyl-3,4-dimethyl-
AKOS009158451CCG-255214IDI1_018832N-acetyl-3,4-dimethyl-DL-phenylalanineEN300-13208597
Database identifiers
- CAS
312916-35-1- PubChem CID
- 2747249
- DTXSID
DTXSID30372641
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Boiling point
- 475 · 475.0±45.0 °C(Predicted)
- Density
- 1.146 · 1.146±0.06 g/cm3(Predicted)
- pka
- 3.63 · 3.63±0.10(Predicted)
Chemistry & industry
Suppliers1 total
江苏洪珉药业有限公司18221292452 · [email protected]
Related reactions
1 records
Compound notes
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