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1215956-88-9 | 2-(decahydroquinolin-1-yl)acetonitrile
CAS No: 1215956-88-9 Catalog No: AG01A9DG MDL No:MFCD12144734
Product Description
Catalog Number:
AG01A9DG
Chemical Name:
2-(decahydroquinolin-1-yl)acetonitrile
CAS Number:
1215956-88-9
Molecular Formula:
C11H18N2
Molecular Weight:
178.2740
MDL Number:
MFCD12144734
IUPAC Name:
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetonitrile
InChI:
InChI=1S/C11H18N2/c12-7-9-13-8-3-5-10-4-1-2-6-11(10)13/h10-11H,1-6,8-9H2
InChI Key:
BLOIDUVEBKSVSL-UHFFFAOYSA-N
SMILES:
N#CCN1CCCC2C1CCCC2
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.147g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.279g/mol
Monoisotopic Mass:
178.147g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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