4-(4-Aminophenyl)-4-oxobutanoic acid

HCID 243290CAS 6945-94-4
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1ccc(C(=O)CCC(=O)O)cc1
InChIKey
WRBOAZUDXNNWNI-UHFFFAOYSA-N
Molecular formula
C10H11NO3
Average molar mass
193.2 g/mol
Monoisotopic mass
193.07389321

Names & identifiers

Preferred name
4-(4-Aminophenyl)-4-oxobutanoic acid
IUPAC
4-(4-aminophenyl)-4-oxobutanoic acid
English name
4-(4-aminophenyl)-4-oxo-butanoic acid
Molecular formula
C10H11NO3
Molecular weight
193.2

Names & synonyms

4-(4-aminophenyl)-4-oxobutanoic acid6945-94-4DTXSID90287843RefChem:287832DTXCID302389904-(4-AMINOPHENYL)-4-OXO-BUTANOIC ACIDNSC527374-(4-amino-phenyl)-4-oxo-butyric acidSCHEMBL2652443CHEMBL32783373-(p-aminobenzoyl)propionic acidWRBOAZUDXNNWNI-UHFFFAOYSA-N
Show more names
Benzenebutanoic acid, 4-amino-γ-oxo-4-(4-AMINOPHENYL)-4-OXOBUTANOIC ACID(WXG02066)
3-(p-aminobenzoyl)-propionic acidGAA94594beta-(p-aminobenzoyl)-propionic acidMFCD12196376NSC-527374-(4-aminophenyl)-4-oxobutanoicacidAKOS030583741DB-348648

Database identifiers

CAS
6945-94-4
PubChem CID
243290
DTXSID
DTXSID90287843
ChEMBL
CHEMBL3278337

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
80.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
14

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 data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers1 total

上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

Related reactions

29 records
New reaction record

Linked notes

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