2-(tert-Butyl)maleonitrile - CAS 169309-80-2

Catalog:	BB012534
Product Name:	2-(tert-Butyl)maleonitrile
CAS:	169309-80-2
Synonyms:	(Z)-2-tert-butyl-2-butenedinitrile; (Z)-2-tert-butylbut-2-enedinitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	(Z)-2-tert-butylbut-2-enedinitrile
Description:	2-(tert-Butyl)maleonitrile (CAS# 169309-80-2) is a useful research chemical compound.
Molecular Weight:	134.18
Molecular Formula:	C8H10N2
Canonical SMILES:	CC(C)(C)C(=CC#N)C#N
InChI:	InChI=1S/C8H10N2/c1-8(2,3)7(6-10)4-5-9/h4H,1-3H3/b7-4+
InChI Key:	WGGPUYXDGYTCJX-QPJJXVBHSA-N
Boiling Point:	230.199 °C at 760 mmHg
Density:	0.953 g/cm³
LogP:	2.00606

Publication Number	Title	Priority Date
CN-112713302-A	Flame-retardant polymer gel electrolyte composition, gel electrolyte, and preparation method and application thereof	20201231
CN-112133961-A	Gel electrolyte precursor and application thereof	20200918
KR-20180024694-A	A tetraazaporphyrine colorant compound, a coating ink composition containing the same, and a selective light absorption filter manufactured using the coating ink composition	20160831
WO-2018043828-A1	Tetraazaporphyrin pigment compound and coating ink composition comprising same	20160831
EP-1247655-A1	Optical recording medium and novel azaporphyrin compounds	19991228

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Complexity:	235
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	134.084398327
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	134.084398327
Rotatable Bond Count:	1
Topological Polar Surface Area:	47.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6