N1-{4-nitro-3-[4-(4-nitrophenyl)piperazin-1-yl]phenyl}ethane-1,2-diamine

N1-{4-nitro-3-[4-(4-nitrophenyl)piperazin-1-yl]phenyl}ethane-1,2-diamine

Formula: C18H22N6O4

SMILES: NCCNC1=CC=C(C(=C1)N1CCN(CC1)C1=CC=C(C=C1)[N+]([O-])=O)[N+]([O-])=O

IUPAC: N1-{4-nitro-3-[4-(4-nitrophenyl)piperazin-1-yl]phenyl}ethane-1,2-diamine

InChI: InChI=1S/C18H22N6O4/c19-7-8-20-14-1-6-17(24(27)28)18(13-14)22-11-9-21(10-12-22)15-2-4-16(5-3-15)23(25)26/h1-6,13,20H,7-12,19H2

Composition: C (55.95%), H (5.74%), N (21.75%), O (16.56%)

Molar Mass: 386.412

Atom Count: 50

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	386.170253212
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
InChIKey	UUUDGYSOXSEQLK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	107.82
Topological Polar Surface Area	130.81
Polarizability	38.96
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H22N6O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00