N-(2-Bromophenyl)glycine
Basic information
- CAS
40789-38-6- Standard SMILES
O=C(O)CNc1ccccc1Br- InChIKey
VGLQMSUHPXEUIJ-UHFFFAOYSA-N- Molecular formula
- C8H8BrNO2
- Average molar mass
- 230.06 g/mol
- Monoisotopic mass
- 228.97384
Names & identifiers
- Preferred name
- N-(2-Bromophenyl)glycine
- IUPAC
- 2-(2-bromoanilino)acetic acid
- English name
- (2-BroMo-phenylaMino)-acetic acid
- Molecular formula
- C8H8BrNO2
- Molecular weight
- 230.06
Names & synonyms
40789-38-6N-(2-BROMOPHENYL)GLYCINEDTXSID20319000RefChem:360533DTXCID802701232-((2-Bromophenyl)amino)acetic acid(2-Bromo-phenylamino)-acetic acid2-(2-bromoanilino)acetic acidN-(2-Bromophenyl)-glycine(2-bromophenyl)glycineMFCD00029781DL-2-BROMOPHENYLGLYCINE
Show more names
Glycine, N-(2-broMophenyl)-2-(2-bromoanilino)aceticaci
2-[(2-bromophenyl)amino]acetic acid2-((2-Bromophenyl)amino)aceticacidNSC338430SCHEMBL158269SCHEMBL29864421CL8802AKOS000101389NSC 338430
Database identifiers
- CAS
40789-38-6- PubChem CID
- 334096
- DTXSID
DTXSID20319000
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 405.5 · 405.5±30.0 °C(Predicted)
- Density
- 1.689 · 1.689±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.22 · 4.22±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
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Related reactions
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Compound notes
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