2-Cyanopiperazine Dihydrochloride - CAS 187589-35-1

Catalog:	BB014431
Product Name:	2-Cyanopiperazine Dihydrochloride
CAS:	187589-35-1
Synonyms:	2-piperazinecarbonitrile;dihydrochloride; piperazine-2-carbonitrile;dihydrochloride

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Computed Properties

IUPAC Name:	piperazine-2-carbonitrile;dihydrochloride
Description:	2-Cyanopiperazine Dihydrochloride (CAS# 187589-35-1) is a useful research chemical.
Molecular Weight:	184.07
Molecular Formula:	C5H11Cl2N3
Canonical SMILES:	C1CNC(CN1)C#N.Cl.Cl
InChI:	InChI=1S/C5H9N3.2ClH/c6-3-5-4-7-1-2-8-5;;/h5,7-8H,1-2,4H2;2*1H
InChI Key:	BYUCWQZNBFCREC-UHFFFAOYSA-N
Boiling Point:	329.4 °C at 760 mmHg
LogP:	1.33298

Publication Number	Title	Priority Date
US-2020181118-A1	Fused ring compounds	20181109
WO-2020097537-A2	Fused ring compounds	20181109
AU-2019377130-A1	Fused ring compounds	20181109
CA-3087089-A1	Fused ring compounds	20181109
CN-112105419-A	Fused ring compound	20181109

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	112
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.0330028
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	183.0330028
Rotatable Bond Count:	0
Topological Polar Surface Area:	47.8 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0