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200137-81-1 | 7-Isoquinolinecarbonitrile, 1,2,3,4-tetrahydro-, hydrochloride (1:1)
CAS No: 200137-81-1 Catalog No: AG002CKB MDL No:MFCD08234663
Product Description
Catalog Number:
AG002CKB
Chemical Name:
7-Isoquinolinecarbonitrile, 1,2,3,4-tetrahydro-, hydrochloride (1:1)
CAS Number:
200137-81-1
Molecular Formula:
C10H11ClN2
Molecular Weight:
194.6607
MDL Number:
MFCD08234663
IUPAC Name:
1,2,3,4-tetrahydroisoquinoline-7-carbonitrile;hydrochloride
InChI:
InChI=1S/C10H10N2.ClH/c11-6-8-1-2-9-3-4-12-7-10(9)5-8;/h1-2,5,12H,3-4,7H2;1H
InChI Key:
NPCOFDGYVBVRLW-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)CNCC2.Cl
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.061g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.662g/mol
Monoisotopic Mass:
194.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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