Basic information
- CAS
39478-47-2- Standard SMILES
NC(C(=O)Cl)c1ccccc1- InChIKey
MEAZEHJUPLREOQ-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO
- Average molar mass
- 169.61 g/mol
- Monoisotopic mass
- 169.0294416
Overview
RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- Phenylglycine chloride
- IUPAC
- 2-amino-2-phenylacetyl chloride
- English name
- alpha-Aminobenzeneacetyl chloride
- Molecular formula
- C8H8ClNO
- Molecular weight
- 169.61
Names & synonyms
Phenylglycine chloride39478-47-2RefChem:1730632-amino-2-phenylacetyl chlorideamino(phenyl)acetyl chlorideMFCD03658916Benzeneacetyl chloride,a-amino-aminophenylacetyl chlorideSCHEMBL25944962-amino-2-phenyl-acetyl chlorideMEAZEHJUPLREOQ-UHFFFAOYSA-NBenzeneacetyl chloride, alpha-amino-
Show more names
Phenylglycyl chlorideα-Aminobenzeneacetyl chlorideα-Amino benzeneacetyl chlorideA-AMINO BENZENEACETYL CHLORIDEBenzeneacetyl chloride, α-amino-alpha-Aminobenzeneacetyl chloride
D-|A-Aminophenylacetic acid chlorideSTK801808AKOS004119968AKOS022061220PD160225
Database identifiers
- CAS
39478-47-2- PubChem CID
- 79211
- Nikkaji
- J3.095.483A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Boiling point
- 247.2 · 247.2±33.0 °C(Predicted)
- Density
- 1.254 · 1.254±0.06 g/cm3(Predicted)
- pka
- 6.15 · 6.15±0.10(Predicted)
- HS Code
- 2924297099 · 2924297099
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
- hs_code
- 2924297099
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers2 total
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [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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