200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 1422138-76-8
1422138-76-8 | 3-(8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl)benzonitrile
CAS No: 1422138-76-8 Catalog No: AG01DIEV MDL No:
Product Description
Catalog Number:
AG01DIEV
Chemical Name:
3-(8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl)benzonitrile
CAS Number:
1422138-76-8
Molecular Formula:
C16H21N3O
Molecular Weight:
271.3574
IUPAC Name:
3-(8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl)benzonitrile
InChI:
InChI=1S/C16H21N3O/c17-10-14-3-1-4-15(9-14)19-7-8-20-13-16(12-19)5-2-6-18-11-16/h1,3-4,9,18H,2,5-8,11-13H2
InChI Key:
KMXVBIIFNKCRQA-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)N1CCOCC2(C1)CCCNC2
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.168g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.364g/mol
Monoisotopic Mass:
271.168g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.