4-[(2-Tert-butylphenyl)amino]-4-oxobutanoic acid

CHEMBRDG-BB 9050501 · OTAVA-BB 7020688108 · 4-[(2-TERT-BUTYLPHENYL)AMINO]-4-OXOBUTANOIC ACID · 4-[(2-tert-BButylphenyl)amino]-4-oxobutanoic Acid · 4-[(2-tert-butylphenyl)amino]-4-keto-butyric acid · butanoic acid, 4-[[2-(1,1-dimethylethyl)phenyl]amino]-4-ox · Butanoic acid, 4-[[2-(1,1-dimethylethyl)phenyl]amino]-4-oxo- · 4-[(2-tert-butylphenyl)amino]-4-oxobutanoic acid(SALTDATA: FREE)

https://huagongshe.com/en/chemical/6468356

4-[(2-Tert-butylphenyl)amino]-4-oxobutanoic acid molecular structure

Identifiers & Physical Properties

CAS No.	904807-77-8
Molecular formula	C14H19NO3
Average molar mass	249.3 g/mol
Monoisotopic mass	249.13649347 g/mol
SMILES	CC(C)(C)c1ccccc1NC(=O)CCC(=O)O
InChIKey	OHADMZXCKCKARP-UHFFFAOYSA-N
PubChem CID	6468356
DTXSID	DTXSID30424255

Chemical & Physical Properties

XLogP	2.2
Topological polar surface area	66.4
Hydrogen bond donors	2
Hydrogen bond acceptors	3
Rotatable bonds	5
Heavy atoms	18
Formal charge	0
Complexity	307
Boiling point	460.6±38.0 °C(Predicted)
Density	1.149±0.06 g/cm3(Predicted)
pKa (acidity coefficient)	4.70±0.10(Predicted)
Hazard class	IRRITANT

Safety & Regulations

Hazard class	IRRITANT