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N1-(4-methylquinolin-2-yl)ethane-1,2-diamine; bis(nitric acid)

N1-(4-methylquinolin-2-yl)ethane-1,2-diamine; bis(nitric acid)

CAS: 91642-91-0

Formula: C12H17N5O6

SMILES: O[N+]([O-])=O.O[N+]([O-])=O.CC1=C2C=CC=CC2=NC(NCCN)=C1

IUPAC: N1-(4-methylquinolin-2-yl)ethane-1,2-diamine; bis(nitric acid)

InChI: InChI=1S/C12H15N3.2HNO3/c1-9-8-12(14-7-6-13)15-11-5-3-2-4-10(9)11;2*2-1(3)4/h2-5,8H,6-7,13H2,1H3,(H,14,15);2*(H,2,3,4)

Composition: C (44.04%), H (5.24%), N (21.40%), O (29.33%)

Molar Mass: 327.297

Atom Count: 40

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 327.117883287
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey YVYCIHYNLNCSDH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.48
Topological Polar Surface Area 50.94
Polarizability 25.13
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 91642-91-0 $190.37$190.37
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