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242474-46-0 | 3,5-dimethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CAS No: 242474-46-0 Catalog No: AG00J29J MDL No:MFCD01651668
Product Description
Catalog Number:
AG00J29J
Chemical Name:
3,5-dimethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CAS Number:
242474-46-0
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
MDL Number:
MFCD01651668
IUPAC Name:
3,5-dimethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
InChI:
InChI=1S/C12H14N2/c1-8-4-3-5-10-7-14-9(2)11(6-13)12(8)10/h7-8H,3-5H2,1-2H3
InChI Key:
XUOXBTQUAMVECG-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)ncc2c1C(C)CCC2
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.258g/mol
Monoisotopic Mass:
186.116g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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