Basic information
- CAS
94107-41-2- Standard SMILES
CC(C)C(Br)C(=O)NC(Cc1ccccc1)C(=O)O- InChIKey
RGIHFSFFOHEHAX-UHFFFAOYSA-N- Molecular formula
- C14H18BrNO3
- Average molar mass
- 328.2 g/mol
Names & identifiers
- Preferred name
- N-(2-Bromo-3-methylbutyryl)-3-phenyl-DL-alanine
- IUPAC
- 2-[(2-bromo-3-methylbutanoyl)amino]-3-phenylpropanoic acid
- English name
- N-(2-bromo-3-methylbutyryl)-3-phenyl-DL-alanine
- Molecular formula
- C14H18BrNO3
- Molecular weight
- 328.2
Names & synonyms
N-(2-Bromo-3-methylbutyryl)-3-phenyl-DL-alanine94107-41-22-[(2-bromo-3-methylbutanoyl)amino]-3-phenylpropanoic acidEINECS 302-275-5NSC163097DTXSID50916485RGIHFSFFOHEHAX-UHFFFAOYSA-NAKOS024332148NSC-163097N-(2-bromo-3-methylbutanoyl)phenylalanineN-(2-Bromo-1-hydroxy-3-methylbutylidene)phenylalanineD,L-2-BROMOISOVALERYL-D,L-PHENYLALANINE
Show more names
Phenylalanine, N-(2-bromo-3-methyl-1-oxobutyl)-N-(2-Bromo-3-methyl-1-oxobutyl)-DL-phenylalanine(±)-N-(2-Bromo-3-methyl-1-oxobutyl)phenylalanine2-(2-bromo-3-methylbutanamido)-3-phenylpropanoic acid
Database identifiers
- CAS
94107-41-2- PubChem CID
- 294508
- DTXSID
DTXSID50916485- EC Number
- 302-275-5
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Melting point
- 125 °C · 125 °C
- Boiling point
- 496.6 · 496.6±45.0 °C(Predicted)
- Density
- 1.389 · 1.389±0.06 g/cm3(Predicted)
- pka
- 3.44 · 3.44±0.10(Predicted)
Chemistry & industry
Suppliers2 total
上海吉尔多肽有限公司+86-21-61263310 13764994101 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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