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85741-15-7 | 3-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS No: 85741-15-7 Catalog No: AG01A1HY MDL No:MFCD22421845
Product Description
Catalog Number:
AG01A1HY
Chemical Name:
3-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS Number:
85741-15-7
Molecular Formula:
C15H16ClN
Molecular Weight:
245.7472
MDL Number:
MFCD22421845
IUPAC Name:
3-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI:
InChI=1S/C15H15N.ClH/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;/h1-9,15-16H,10-11H2;1H
InChI Key:
XSOBGRJRYZIFLK-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1NCc2c(C1)cccc2.Cl
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.097g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.75g/mol
Monoisotopic Mass:
245.097g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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