Basic information
- CAS
30544-73-1- Standard SMILES
Cc1cccc(C)c1N(CCC(=O)O)C(=O)c1ccc(Cl)cc1- InChIKey
QNHUFJPPCSTYBX-UHFFFAOYSA-N- Molecular formula
- C18H18ClNO3
- Average molar mass
- 331.8 g/mol
- Monoisotopic mass
- 331.09752112
Names & identifiers
- Preferred name
- beta-Alanine, N-(p-chlorobenzoyl)-N-2,6-xylyl-
- IUPAC
- 3-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)propanoic acid
- English name
- N-(p-Chlorobenzoyl)-N-(2,6-xylyl)-β-alanine
- Molecular formula
- C18H18ClNO3
- Molecular weight
- 331.79
Names & synonyms
beta-ALANINE, N-(p-CHLOROBENZOYL)-N-2,6-XYLYL-30544-73-1N-(p-Chlorobenzoyl)-N-2,6-xylyl-beta-alanineBRN 2772062B 66356DTXSID20184634RefChem:328932DTXCID601071253-(N-(4-chlorobenzoyl)-2,6-dimethylanilino)propanoic acidSCHEMBL11220562N-(4-Chlorobenzoyl)-N-(2,6-dimethylphenyl)-beta-alanineB-66356
Show more names
N-(p-Chlorobenzoyl)-N-(2,6-xylyl)-β-alanineβ-Alanine, N-(4-chlorobenzoyl)-N-(2,6-dimethylphenyl)-
Database identifiers
- CAS
30544-73-1- PubChem CID
- 35384
- DTXSID
DTXSID20184634- Nikkaji
- J86.677F
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 410
Chemistry & industry
Suppliers1 total
江苏洪珉药业有限公司18221292452 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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