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piperazine-1-carbonitrile

piperazine-1-carbonitrile

Formula: C5H9N3

SMILES: N#CN1CCNCC1

IUPAC: piperazine-1-carbonitrile

InChI: InChI=1S/C5H9N3/c6-5-8-3-1-7-2-4-8/h7H,1-4H2

Composition: C (54.03%), H (8.16%), N (37.81%)

Molar Mass: 111.148

Atom Count: 17

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 111.079647302
Formal Charge 0
FSP3 0.8
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey DJDBLBBSUAQYAA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 31.7
Topological Polar Surface Area 39.06
Polarizability 11.72
Ring Count 1
Rotatable Bond Count 0

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Purity (%)
-
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Days
Packet Size
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C5H9N3 Quote Only