1,2,3,4-Tetrahydronaphthalen-1-yl Isocyanide - CAS 602262-90-8

Catalog:	BB057674
Product Name:	1,2,3,4-Tetrahydronaphthalen-1-yl Isocyanide
CAS:	602262-90-8
Synonyms:	1-isocyano-1,2,3,4-tetrahydronaphthalene; 1,2,3,4-tetrahydronaphthalen-1-yl isocyanide; Naphthalene, 1,2,3,4-tetrahydro-1-isocyano- (9CI); isocyanotetrahydronaphthalene

Technical Data

IUPAC Name:	1-isocyano-1,2,3,4-tetrahydronaphthalene
Description:	1,2,3,4-Tetrahydronaphthalen-1-yl Isocyanide is used in the synthesis of spiropyrazine derivatives as inhibitors of nonapoptotic regulated cell death.
Molecular Weight:	157.21
Molecular Formula:	C11H11N
Canonical SMILES:	[C-]#[N+]C1CCCC2=CC=CC=C12
InChI:	InChI=1S/C11H11N/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11H,4,6,8H2
InChI Key:	BKSBGCVGYLOQJZ-UHFFFAOYSA-N
References:	Conrad, M. et al. PCT Int. Appl. (2016), WO 2016075137 A1 20160519.

Complexity:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.089149355
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	157.089149355
Rotatable Bond Count:	0
Topological Polar Surface Area:	4.4Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4