4-[(2-nitrophenyl)amino]butanoic Acid
Basic information
- CAS
56636-90-9- Standard SMILES
O=C(O)CCCNc1ccccc1[N+](=O)[O-]- InChIKey
AXVZVHGJXZEPLP-UHFFFAOYSA-N- Molecular formula
- C10H12N2O4
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.07970687
Names & identifiers
- Preferred name
- 4-[(2-nitrophenyl)amino]butanoic Acid
- IUPAC
- 4-(2-nitroanilino)butanoic acid
- English name
- 4-[(2-Nitrophenyl)amino]butanoic acid
- Molecular formula
- C10H12N2O4
- Molecular weight
- 224.21
Names & synonyms
4-[(2-nitrophenyl)amino]butanoic Acid56636-90-94-(2-nitroanilino)butanoic acid4-((2-Nitrophenyl)amino)butanoic acidDTXSID80427690MFCD073391904-((2-Nitrophenyl)amino)butanoicacidAKOS000202129SB79558CS-0234535EN300-14272G35387
Show more names
Butanoic acid, 4-[(2-nitrophenyl)amino]-
Z64571538F1911-3502
Database identifiers
- CAS
56636-90-9- PubChem CID
- 7063992
- DTXSID
DTXSID80427690
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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