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404576-48-3 | 6-tert-butyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS No: 404576-48-3 Catalog No: AG019MLM MDL No:MFCD10686913
Product Description
Catalog Number:
AG019MLM
Chemical Name:
6-tert-butyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS Number:
404576-48-3
Molecular Formula:
C13H20ClN
Molecular Weight:
225.7576
MDL Number:
MFCD10686913
IUPAC Name:
6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI:
InChI=1S/C13H19N.ClH/c1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;/h4-5,8,14H,6-7,9H2,1-3H3;1H
InChI Key:
QZZSWUSQXKKAEU-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)CCNC2)(C)C.Cl
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.128g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.76g/mol
Monoisotopic Mass:
225.128g/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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