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627098-24-2 | (1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-ACETONITRILE HYDROCHLORIDE
CAS No: 627098-24-2 Catalog No: AG00EBDV MDL No:
Product Description
Catalog Number:
AG00EBDV
Chemical Name:
(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-ACETONITRILE HYDROCHLORIDE
CAS Number:
627098-24-2
Molecular Formula:
C11H13ClN2
Molecular Weight:
208.6873
IUPAC Name:
2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile;hydrochloride
InChI:
InChI=1S/C11H12N2.ClH/c12-7-5-11-10-4-2-1-3-9(10)6-8-13-11;/h1-4,11,13H,5-6,8H2;1H
InChI Key:
YJQVHFGAEMWCOV-UHFFFAOYSA-N
SMILES:
N#CCC1NCCc2c1cccc2.Cl
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.077g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.689g/mol
Monoisotopic Mass:
208.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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