5-amino-2-(4-methylpiperazin-1-yl)benzoic acid hydrochloride

5-amino-2-(4-methylpiperazin-1-yl)benzoic acid hydrochloride

CAS: 1185300-38-2

Formula: C12H18ClN3O2

SMILES: Cl.CN1CCN(CC1)C1=C(C=C(N)C=C1)C(O)=O

IUPAC: 5-amino-2-(4-methylpiperazin-1-yl)benzoic acid hydrochloride

InChI: InChI=1S/C12H17N3O2.ClH/c1-14-4-6-15(7-5-14)11-3-2-9(13)8-10(11)12(16)17;/h2-3,8H,4-7,13H2,1H3,(H,16,17);1H

Composition: C (53.04%), H (6.68%), Cl (13.05%), N (15.46%), O (11.78%)

Molar Mass: 271.75

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	271.1087545
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	QECCLZCMMWNHHS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.49
Topological Polar Surface Area	69.8
Polarizability	24.95
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1185300-38-2		$263.10-$404.27$263.10$404.27