pentanedinitrile

ScientificNameLabel

pentanedinitrile
PHCD compound ID :	4754
Chemical Names :	pentanedinitrile
Molecular Formula :	C5H6N2
Molecular Weight :	94.053098

More Details :

Names & Synonyms:	pentanedinitrile , glutaronitrile
Smiles:	N#CCCCC#N
InChi :	InChI=1S/C5H6N2/c6-4-2-1-3-5-7/h1-3H2
InChi Key :	InChIKey=ZTOMUSMDRMJOTH-UHFFFAOYSA-N
PubChem ID :	10994

Rotatable bond count :	2	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	12.451355
Hydrogen bond donor count :	0	Electric dipole moment :	4.094
XLogP :	-0.13	VDW volume :	106.484067
Molecular weight :	94.053098	HOMO-LUMO gap :	13.229000

Herb list :

Woad - Isatis tinctoria - وسمه

Refrences & Litretures:


753. Journal:'Journal of Essential Oil Research' Year:'2006' Volume:'18' Page:'508' DOI:'org/10.1080/10412905.2006.9699155' Title:'Identification of the Key Aroma Compounds in Dried Roots of Isatis tinctoria'

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