2-(4-aminophenyl)butanoic acid

2-(4-aminophenyl)butanoic acid

CAS: 29644-97-1

Formula: C10H13NO2

SMILES: CCC(C(O)=O)C1=CC=C(N)C=C1

IUPAC: 2-(4-aminophenyl)butanoic acid

InChI: InChI=1/C10H13NO2/c1-2-9(10(12)13)7-3-5-8(11)6-4-7/h3-6,9H,2,11H2,1H3,(H,12,13)

Composition: C (67.02%), H (7.31%), N (7.82%), O (17.85%)

Molar Mass: 179.219

Atom Count: 26

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	179.094628663
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	WAPLXGPARWRGJO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.24
Topological Polar Surface Area	63.32
Polarizability	19.34
Ring Count	1
Rotatable Bond Count	3

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