3-methyl-4-(3-methylbutoxy)aniline hydrochloride

3-methyl-4-(3-methylbutoxy)aniline hydrochloride

CAS: 1185302-34-4

Formula: C12H20ClNO

SMILES: Cl.CC(C)CCOC1=C(C)C=C(N)C=C1

IUPAC: 3-methyl-4-(3-methylbutoxy)aniline hydrochloride

InChI: InChI=1S/C12H19NO.ClH/c1-9(2)6-7-14-12-5-4-11(13)8-10(12)3;/h4-5,8-9H,6-7,13H2,1-3H3;1H

Composition: C (62.73%), H (8.77%), Cl (15.43%), N (6.10%), O (6.96%)

Molar Mass: 229.75

Atom Count: 35

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	229.123342
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	DXMYKYXHJILTDO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.68
Topological Polar Surface Area	35.25
Polarizability	23.13
Ring Count	1
Rotatable Bond Count	4

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95%	<2 Days	1185302-34-4		$219.25$219.25