2-[(2S)-piperazin-2-yl]acetonitrile dihydrochloride

2-[(2S)-piperazin-2-yl]acetonitrile dihydrochloride

CAS: 2158301-19-8

Formula: C6H13Cl2N3

SMILES: Cl.Cl.N#CC[C@H]1CNCCN1

IUPAC: 2-[(2S)-piperazin-2-yl]acetonitrile dihydrochloride

InChI: InChI=1S/C6H11N3.2ClH/c7-2-1-6-5-8-3-4-9-6;;/h6,8-9H,1,3-5H2;2*1H/t6-;;/m0../s1

Composition: C (36.38%), H (6.62%), Cl (35.79%), N (21.21%)

Molar Mass: 198.09

Atom Count: 24

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	197.0486528
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	YHCNTTLRKUTDRD-ILKKLZGPSA-N
Lipinski's Rule of Five	1
Molar Refractivity	34.88
Topological Polar Surface Area	47.85
Polarizability	13.95
Ring Count	1
Rotatable Bond Count	1

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95%	1 Day	2158301-19-8		$27.22-$3,832.92$27.22$81.65$317.52$612.36$1,270.08$2,469.85$3,832.92