N1-[2-nitro-5-(pyrrolidin-1-yl)phenyl]ethane-1,2-diamine

N1-[2-nitro-5-(pyrrolidin-1-yl)phenyl]ethane-1,2-diamine

Formula: C12H18N4O2

SMILES: NCCNC1=CC(=CC=C1[N+]([O-])=O)N1CCCC1

IUPAC: N1-[2-nitro-5-(pyrrolidin-1-yl)phenyl]ethane-1,2-diamine

InChI: InChI=1S/C12H18N4O2/c13-5-6-14-11-9-10(15-7-1-2-8-15)3-4-12(11)16(17)18/h3-4,9,14H,1-2,5-8,13H2

Composition: C (57.58%), H (7.25%), N (22.38%), O (12.78%)

Molar Mass: 250.302

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	250.142975836
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	YSKNZJMLYJQBGE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.49
Topological Polar Surface Area	84.43
Polarizability	26.33
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H18N4O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00