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935542-80-6 | 6-(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS No: 935542-80-6 Catalog No: AG01ABTB MDL No:MFCD26407730
Product Description
Catalog Number:
AG01ABTB
Chemical Name:
6-(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS Number:
935542-80-6
Molecular Formula:
C12H18ClN
Molecular Weight:
211.7310
MDL Number:
MFCD26407730
IUPAC Name:
6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI:
InChI=1S/C12H17N.ClH/c1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;/h3-4,7,9,13H,5-6,8H2,1-2H3;1H
InChI Key:
GTQSHTVRCNEHFW-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)CCNC2)C.Cl
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.113g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.733g/mol
Monoisotopic Mass:
211.113g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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