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2091240-84-3 | 2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetonitrile
CAS No: 2091240-84-3 Catalog No: AG01BXPL MDL No:MFCD30689913
Product Description
Catalog Number:
AG01BXPL
Chemical Name:
2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetonitrile
CAS Number:
2091240-84-3
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
MDL Number:
MFCD30689913
IUPAC Name:
2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetonitrile
InChI:
InChI=1S/C11H12N2/c12-6-4-9-2-1-3-10-8-13-7-5-11(9)10/h1-3,13H,4-5,7-8H2
InChI Key:
DYHGUAKWNCFCBU-UHFFFAOYSA-N
SMILES:
N#CCc1cccc2c1CCNC2
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:
1
Isotope Atom Count:
0
Molecular Weight:
172.231g/mol
Monoisotopic Mass:
172.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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