N-(4-amino-2-methoxyphenyl)-3-methylbutanamide hydrochloride

N-(4-amino-2-methoxyphenyl)-3-methylbutanamide hydrochloride

CAS: 1269181-10-3

Formula: C12H19ClN2O2

SMILES: Cl.COC1=C(NC(=O)CC(C)C)C=CC(N)=C1

IUPAC: N-(4-amino-2-methoxyphenyl)-3-methylbutanamide hydrochloride

InChI: InChI=1S/C12H18N2O2.ClH/c1-8(2)6-12(15)14-10-5-4-9(13)7-11(10)16-3;/h4-5,7-8H,6,13H2,1-3H3,(H,14,15);1H

Composition: C (55.70%), H (7.40%), Cl (13.70%), N (10.83%), O (12.37%)

Molar Mass: 258.75

Atom Count: 36

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	258.1135056
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	NBPGZNXLOBWYJW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.86
Topological Polar Surface Area	64.35
Polarizability	24.39
Ring Count	1
Rotatable Bond Count	4

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95%	<4 Days	1269181-10-3		$28.75-$1,189.10$28.75$116.15$234.60$1,189.10