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1745-05-7 | Isoquinoline, 1,2,3,4-tetrahydro-7-methoxy-, hydrochloride (1:1)
CAS No: 1745-05-7 Catalog No: AG001ZPR MDL No:MFCD01444681
Product Description
Catalog Number:
AG001ZPR
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-7-methoxy-, hydrochloride (1:1)
CAS Number:
1745-05-7
Molecular Formula:
C10H14ClNO
Molecular Weight:
199.6773
MDL Number:
MFCD01444681
IUPAC Name:
7-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI:
InChI=1S/C10H13NO.ClH/c1-12-10-3-2-8-4-5-11-7-9(8)6-10;/h2-3,6,11H,4-5,7H2,1H3;1H
InChI Key:
RKDJBXYFUGOJRU-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)CNCC2.Cl
NSC Number:
88919
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.076g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.678g/mol
Monoisotopic Mass:
199.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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