N1-(4-nitrophenyl)ethane-1,2-diamine

N1-(4-nitrophenyl)ethane-1,2-diamine

CAS: 6332-77-0

Formula: C8H11N3O2

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

IUPAC: N1-(4-nitrophenyl)ethane-1,2-diamine

InChI: InChI=1S/C8H11N3O2/c9-5-6-10-7-1-3-8(4-2-7)11(12)13/h1-4,10H,5-6,9H2

Composition: C (53.03%), H (6.12%), N (23.19%), O (17.66%)

Molar Mass: 181.195

Atom Count: 24

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	181.085126606
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	CGTJUSQJKFEMEI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.52
Topological Polar Surface Area	81.19
Polarizability	18.55
Ring Count	1
Rotatable Bond Count	4

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