Basic information
- CAS
33684-12-7- Standard SMILES
CN(C(=O)CCC(=O)O)c1ccccc1- InChIKey
ZBTZGOKOGQVOPH-UHFFFAOYSA-N- Molecular formula
- C11H13NO3
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.08954328
Names & identifiers
- Preferred name
- 4-[Methyl(phenyl)amino]-4-oxobutanoic acid
- IUPAC
- 4-(N-methylanilino)-4-oxobutanoic acid
- English name
- 4-(METHYLANILINO)-4-OXOBUTANOIC ACID
- Molecular formula
- C11H13NO3
- Molecular weight
- 207.23
Names & synonyms
33684-12-74-(METHYLANILINO)-4-OXOBUTANOIC ACID4-[Methyl(phenyl)amino]-4-oxobutanoic acid4-(N-methylanilino)-4-oxobutanoic acid3-[methyl(phenyl)carbamoyl]propanoic acid4-(N-methylanilino)-4-oxo-butanoic acidNSC507169SCHEMBL7364770DTXSID50325432BBL023280MFCD08059162SBB080053
Show more names
Butanoic acid, 4-(methylphenylamino)-4-oxo-
STL363036AKOS000128817NSC-507169VS-073773-(N-methyl-N-phenylcarbamoyl)propanoic acid
Database identifiers
- CAS
33684-12-7- PubChem CID
- 350100
- DTXSID
DTXSID50325432
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 234
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
CHEMSWORTH[email protected]
ARONIS[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
CLEARSYNTH LABS LTD.+91-22-45045900 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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