3-amino-N-(2,4-dimethylphenyl)propanamide hydrochloride

3-amino-N-(2,4-dimethylphenyl)propanamide hydrochloride

CAS: 1269053-56-6

Formula: C11H17ClN2O

SMILES: Cl.CC1=CC(C)=C(NC(=O)CCN)C=C1

IUPAC: 3-amino-N-(2,4-dimethylphenyl)propanamide hydrochloride

InChI: InChI=1S/C11H16N2O.ClH/c1-8-3-4-10(9(2)7-8)13-11(14)5-6-12;/h3-4,7H,5-6,12H2,1-2H3,(H,13,14);1H

Composition: C (57.77%), H (7.49%), Cl (15.50%), N (12.25%), O (7.00%)

Molar Mass: 228.72

Atom Count: 32

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	228.1029409
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	NCPRNNMKIXEMQW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.06
Topological Polar Surface Area	55.12
Polarizability	22.11
Ring Count	1
Rotatable Bond Count	3

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