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1159826-69-3

1159826-69-3 | N-Boc-Aminocyclopentylacetonitrile

CAS No: 1159826-69-3 Catalog No: AG01FE1W MDL No:

Product Description

Catalog Number:
AG01FE1W
Chemical Name:
N-Boc-Aminocyclopentylacetonitrile
CAS Number:
1159826-69-3
Molecular Formula:
C12H20N2O2
Molecular Weight:
224.2994
IUPAC Name:
tert-butyl N-[cyano(cyclopentyl)methyl]carbamate
InChI:
InChI=1S/C12H20N2O2/c1-12(2,3)16-11(15)14-10(8-13)9-6-4-5-7-9/h9-10H,4-7H2,1-3H3,(H,14,15)
InChI Key:
OQTNMAOGVPWMIA-UHFFFAOYSA-N
SMILES:
N#CC(C1CCCC1)NC(=O)OC(C)(C)C

Properties

Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.152g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.304g/mol
Monoisotopic Mass:
224.152g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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