Basic information
- CAS
64187-25-3- Standard SMILES
O=C(CNC(=O)OCc1ccccc1)OC(Br)CBr- InChIKey
CMTVPQLIRWBCIV-UHFFFAOYSA-N- Molecular formula
- C12H13Br2NO4
- Average molar mass
- 395.04 g/mol
- Monoisotopic mass
- 392.92113
Names & identifiers
- Preferred name
- N-Carbobenzoxyglycine 1,2-dibromoethyl ester
- IUPAC
- 1,2-dibromoethyl 2-(phenylmethoxycarbonylamino)acetate
- English name
- N-(Benzyloxycarbonyl)glycine 1,2-dibromoethyl ester
- Molecular formula
- C12H13Br2NO4
- Molecular weight
- 395.04
Names & synonyms
N-Carbobenzoxyglycine 1,2-dibromoethyl ester64187-25-3UNII-ED2037QT6SBRN 2002986ED2037QT6SGLYCINE, N-CARBOXY-, N-BENZYL ESTER, 1,2-DIBROMOETHYL ESTERGlycine, N-benzyloxycarbonyl-, 1,2-dibromoethyl ester, L-GLYCINE, N-((PHENYLMETHOXY)CARBONYL)-, 1,2-DIBROMOETHYL ESTERRefChem:202094N-(benzyloxycarbonyl)glycine 1,2-dibromoethyl esterCHEMBL3276021DTXSID80982719
Show more names
N-Benzyloxycarbonylglycine 1,2-dibromoethyl esterGlycine, N-[(phenylmethoxy)carbonyl]-, 1,2-dibromoethyl ester
DB-320515Q272771141,2-Dibromoethyl N-[(benzyloxy)(hydroxy)methylidene]glycinate
Database identifiers
- CAS
64187-25-3- PubChem CID
- 47310
- DTXSID
DTXSID80982719- ChEMBL
CHEMBL3276021- UNII
- ED2037QT6S
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Melting point
- 57 °C · 57°C
- Density
- 1.8324 · 1.8324 (rough estimate)
- refractive index
- 1.622 · 1.6220 (estimate)
- FDA UNII
- 2037 QT6S · ED2037QT6S
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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