N-(2-Bromopropionyl)-DL-norvaline
Basic information
- CAS
7154-28-1- Standard SMILES
CCCC(NC(=O)C(C)Br)C(=O)O- InChIKey
IHAIHVWQEFQBFU-UHFFFAOYSA-N- Molecular formula
- C8H14BrNO3
- Average molar mass
- 252.11 g/mol
- Monoisotopic mass
- 251.01571
Names & identifiers
- Preferred name
- N-(2-Bromopropionyl)-DL-norvaline
- IUPAC
- 2-(2-bromopropanoylamino)pentanoic acid
- English name
- N-(2-bromopropionyl)-DL-norvaline
- Molecular formula
- C8H14BrNO3
- Molecular weight
- 252.11
Names & synonyms
N-(2-Bromopropionyl)-DL-norvaline7154-28-12-(2-bromopropanoylamino)pentanoic acidn-(2-bromopropanoyl)norvalineEINECS 230-504-8NSC163120DTXSID80992035IHAIHVWQEFQBFU-UHFFFAOYSA-NNSC73475NSC 73475NSC-73475AKOS024332154
Show more names
2-BROMOPROPIONYL-D,L-NORVALINENorvaline, N-(2-bromo-1-oxopropyl)-2-(2-bromopropanamido)pentanoic acidN-(2-Bromo-1-oxopropyl)-DL-norvaline
NSC-163120N-(2-Bromo-1-hydroxypropylidene)norvaline
Database identifiers
- CAS
7154-28-1- PubChem CID
- 98064
- DTXSID
DTXSID80992035- EC Number
- 230-504-8
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Boiling point
- 413.1 · 413.1±30.0 °C(Predicted)
- Density
- 1.439 · 1.439±0.06 g/cm3(Predicted)
- pka
- 3.27 · 3.27±0.10(Predicted)
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Compound notes
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