N-(4-amino-2-methylphenyl)acetamide hydrate

N-(4-amino-2-methylphenyl)acetamide hydrate

CAS: 1185068-30-7

Formula: C9H14N2O2

SMILES: O.CC(=O)NC1=C(C)C=C(N)C=C1

IUPAC: N-(4-amino-2-methylphenyl)acetamide hydrate

InChI: InChI=1S/C9H12N2O.H2O/c1-6-5-8(10)3-4-9(6)11-7(2)12;/h3-5H,10H2,1-2H3,(H,11,12);1H2

Composition: C (59.32%), H (7.74%), N (15.37%), O (17.56%)

Molar Mass: 182.223

Atom Count: 27

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	182.105527699
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	HTAZJOKUCWHCEX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.66
Topological Polar Surface Area	55.12
Polarizability	18.11
Ring Count	1
Rotatable Bond Count	1

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