N2-(2-Bromopropionyl)-DL-asparagine
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Basic information
- CAS
6630-35-9- Standard SMILES
CC(Br)C(=O)NC(CC(N)=O)C(=O)O- InChIKey
UPOMSAYUXMKAOY-UHFFFAOYSA-N- Molecular formula
- C7H11BrN2O4
- Average molar mass
- 267.08 g/mol
- Monoisotopic mass
- 265.99022
Names & identifiers
- Preferred name
- N2-(2-Bromopropionyl)-DL-asparagine
- IUPAC
- 4-amino-2-(2-bromopropanoylamino)-4-oxobutanoic acid
- English name
- N2-(2-bromopropionyl)-DL-asparagine
- Molecular formula
- C7H11BrN2O4
- Molecular weight
- 267.08
Names & synonyms
6630-35-9N2-(2-Bromopropionyl)-DL-asparagineNSC60392EINECS 229-623-8DTXSID50984861UPOMSAYUXMKAOY-UHFFFAOYSA-NN~2~-(2-bromopropanoyl)asparagineNSC 60392NSC-60392NSC163100AKOS024332152NSC-163100
Show more names
2-BROMOPROPIONYL-D,L-ASPARAGINEAsparagine, N2-(2-bromo-1-oxopropyl)-N2-(2-Bromo-1-oxopropyl)-DL-asparagine
4-Amino-2-(2-bromopropanamido)-4-oxobutanoic acidN-(2-Bromo-1-hydroxypropylidene)-4-iminohomoserine
Database identifiers
- CAS
6630-35-9- PubChem CID
- 97934
- DTXSID
DTXSID50984861- EC Number
- 229-623-8
Properties
Computed structural propertiesFilling in
- XLogP
- -0.8
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Boiling point
- 587.536 · 587.536±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.676 · 1.676±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.036 · 3.036±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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