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66487-31-8 | 1-CyanoMethyl-1,2,3,4-tetrahydro-quinoline
CAS No: 66487-31-8 Catalog No: AG00FGR4 MDL No:MFCD00100116
Product Description
Catalog Number:
AG00FGR4
Chemical Name:
1-CyanoMethyl-1,2,3,4-tetrahydro-quinoline
CAS Number:
66487-31-8
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
MDL Number:
MFCD00100116
IUPAC Name:
2-(3,4-dihydro-2H-quinolin-1-yl)acetonitrile
InChI:
InChI=1S/C11H12N2/c12-7-9-13-8-3-5-10-4-1-2-6-11(10)13/h1-2,4,6H,3,5,8-9H2
InChI Key:
TUCDZHYOISPGQH-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:
172.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.231g/mol
Monoisotopic Mass:
172.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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