Basic information
- CAS
37642-93-6- Standard SMILES
O=C(O)CCC(=O)Nc1cccc2ccccc12- InChIKey
FXJMMPAVUBUMAD-UHFFFAOYSA-N- Molecular formula
- C14H13NO3
- Average molar mass
- 243.26 g/mol
- Monoisotopic mass
- 243.08954328
Names & identifiers
- Preferred name
- 4-(1-Naphthylamino)-4-oxobutanoic acid
- IUPAC
- 4-(naphthalen-1-ylamino)-4-oxobutanoic acid
- English name
- 4-(1-Naphthylamino)-4-oxobutanoic acid
- Molecular formula
- C14H13NO3
- Molecular weight
- 243.26
Names & synonyms
37642-93-64-(1-naphthylamino)-4-oxobutanoic acidDTXSID70350625RefChem:286731DTXCID703016924-(naphthalen-1-ylamino)-4-oxobutanoic acid3-[(naphthalen-1-yl)carbamoyl]propanoic acidMFCD002241894-[(Naphthalen-1-yl)amino]-4-oxobutanoic acid3-(N-naphthylcarbamoyl)propanoic acidOprea1_245426Oprea1_722968
Show more names
AKOS BB/0023ASISCHEM C15381IFLAB-BB F0216-0023TIMTEC-BB SBB005713N-NAPHTHALEN-1-YL-SUCCINAMIC ACIDButanoic acid, 4-(1-naphthalenylamino)-4-oxo-
CBDivE_002896SCHEMBL890383IFLab1_000891FXJMMPAVUBUMAD-UHFFFAOYSA-NHMS1414I11ALBB-032368SBB005713STK257469
Database identifiers
- CAS
37642-93-6- PubChem CID
- 684306
- DTXSID
DTXSID70350625- Nikkaji
- J1.034.826I
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Hazard Codes
- Xi
- 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_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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