4-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]benzene-1,2-diamine trihydrochloride

4-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]benzene-1,2-diamine trihydrochloride

CAS: 1431697-77-6

Formula: C18H25Cl3N6

SMILES: Cl.Cl.Cl.CN1CCN(CC1)C1=CC=C2NC(=NC2=C1)C1=CC=C(N)C(N)=C1

IUPAC: 4-[5-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]benzene-1,2-diamine trihydrochloride

InChI: InChI=1S/C18H22N6.3ClH/c1-23-6-8-24(9-7-23)13-3-5-16-17(11-13)22-18(21-16)12-2-4-14(19)15(20)10-12;;;/h2-5,10-11H,6-9,19-20H2,1H3,(H,21,22);3*1H

Composition: C (50.07%), H (5.84%), Cl (24.63%), N (19.46%)

Molar Mass: 431.79

Atom Count: 52

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	430.1206279
Formal Charge	0
FSP3	0.28
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	URIONEIMXRTDNB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	109.95
Topological Polar Surface Area	87.2
Polarizability	38.37
Ring Count	4
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	1431697-77-6		$224.46-$481.70$224.46$321.56$481.70