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 |
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: | 4.4Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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