Basic information
- CAS
171002-19-0- Standard SMILES
O=C(O)CC(NC(=O)Cc1ccccc1)c1ccc(Cl)cc1- InChIKey
WHDVSHRTSIEYRK-UHFFFAOYSA-N- Molecular formula
- C17H16ClNO3
- Average molar mass
- 317.8 g/mol
- Monoisotopic mass
- 317.0818711
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-3-(2-phenylacetamido)propanoic acid
- IUPAC
- 3-(4-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoic acid
- English name
- 3-(2-phenylacetaMido)-3-(4-chlorophenyl)propanoic acid
- Molecular formula
- C17H16ClNO3
- Molecular weight
- 317.77
Names & synonyms
3-(4-Chlorophenyl)-3-(2-phenylacetamido)propanoic acid171002-19-03-(4-chlorophenyl)-3-[(2-phenylacetyl)amino]propanoic Acid3-(2-phenylacetaMido)-3-(4-chlorophenyl)propanoic acidWHDVSHRTSIEYRK-UHFFFAOYSA-NOprea1_603818SCHEMBL69531513-(4-Chlorophenyl)-3-(2-phenylacetamido)propanoicacidDTXSID60394997MFCD00181165AKOS0159197443-(4-Chlorophenyl)-3-(phenylacetamido)propionic acid
Show more names
Benzenepropanoic acid, 4-chloro-β-[(2-phenylacetyl)amino]-4-Chloro-beta-[(2-phenylacetyl)amino]benzenepropanoic acid
Database identifiers
- CAS
171002-19-0- PubChem CID
- 3683186
- DTXSID
DTXSID60394997- Nikkaji
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 374
Physicochemical properties
- Boiling point
- 571.9 · 571.9±50.0 °C(Predicted)
- Density
- 1.293 · 1.293
- storage temp.
- 2 · 2-8°C
- pka
- 4.15 · 4.15±0.10(Predicted)
Chemistry & industry
Suppliers6 total
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
天津安浩生物科技有限公司[email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Related reactions
4 records
Compound notes
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