4-(Naphthalen-1-ylamino)-4-oxobut-2-enoic acid
Basic information
- CAS
306935-75-1- Standard SMILES
O=C(O)C=CC(=O)Nc1cccc2ccccc12- InChIKey
DNIIAZFRGKFYSJ-UHFFFAOYSA-N- Molecular formula
- C14H11NO3
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.07389321
Names & identifiers
- Preferred name
- 4-(Naphthalen-1-ylamino)-4-oxobut-2-enoic acid
- IUPAC
- 4-(naphthalen-1-ylamino)-4-oxobut-2-enoic acid
- English name
- 4-(1-Naphthylamino)-4-oxobut-2-enoic acid
- Molecular formula
- C14H11NO3
- Molecular weight
- 241.24
Names & synonyms
4-(naphthalen-1-ylamino)-4-oxobut-2-enoic acidN-(alpha-NAPHTHYL)MALEAMIC ACID(2E)-3-[(naphthalen-1-yl)carbamoyl]prop-2-enoic acidCBDivE_002818SCHEMBL6392056DTXSID5012530594-(1-Naphthalenylamino)-4-oxo-2-butenoic acid4-[(Naphthalen-1-yl)amino]-4-oxobut-2-enoic acid4-(1-Naphthylamino)-4-oxobut-2-enoic acid(Z)-4-(1-naphthylamino)-4-oxobut-2-enoic acid(Z)-4-(1-naphthylamino)-4-oxo-but-2-enoic acid(2Z)-4-(1-Naphthylamino)-4-oxobut-2-enoic acid
Show more names
(Z)-4-keto-4-(1-naphthylamino)but-2-enoic acid2-Butenoic acid, 4-(1-naphthalenylamino)-4-oxo-(Z)-4-(naphthalen-1-ylamino)-4-oxobut-2-enoic acid(Z)-4-(naphthalen-1-ylamino)-4-oxo-but-2-enoic acid
Database identifiers
- CAS
306935-75-1- PubChem CID
- 229928
- DTXSID
DTXSID501253059
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Melting point
- 150 °C · 150 °C
- Boiling point
- 533.9 · 533.9±42.0 °C(Predicted)
- Density
- 1.356 · 1.356±0.06 g/cm3(Predicted)
- pka
- 3.47 · 3.47±0.10(Predicted)
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
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Compound notes
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