Basic information
- CAS
38448-05-4- Standard SMILES
CN(C)C(CC(=O)O)c1ccc([N+](=O)[O-])cc1- InChIKey
GKEWIANWCJLDBF-UHFFFAOYSA-N- Molecular formula
- C11H14N2O4
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.09535693
Names & identifiers
- Preferred name
- 3-(Dimethylamino)-3-(4-nitrophenyl)propanoic acid
- IUPAC
- 3-(dimethylamino)-3-(4-nitrophenyl)propanoic acid
- English name
- 3-dimethylamino-3-(4-nitrophenyl)propanoic acid
- Molecular formula
- C11H14N2O4
- Molecular weight
- 0
Names & synonyms
38448-05-43-(dimethylamino)-3-(4-nitrophenyl)propanoic acidBenzenepropanoic acid, beta-(dimethylamino)-4-nitro-DTXSID909593363-dimethylamino-3-(4-nitrophenyl)propanoic acid
Database identifiers
- CAS
38448-05-4- PubChem CID
- 148249
- DTXSID
DTXSID90959336
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 280
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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