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404576-50-7 | 6-butyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS No: 404576-50-7 Catalog No: AG01EJ5D MDL No:
Product Description
Catalog Number:
AG01EJ5D
Chemical Name:
6-butyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS Number:
404576-50-7
Molecular Formula:
C13H20ClN
Molecular Weight:
225.7576
IUPAC Name:
6-butyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI:
InChI=1S/C13H19N.ClH/c1-2-3-4-11-5-6-13-10-14-8-7-12(13)9-11;/h5-6,9,14H,2-4,7-8,10H2,1H3;1H
InChI Key:
HUMOAYMAUBYGMX-UHFFFAOYSA-N
SMILES:
CCCCc1ccc2c(c1)CCNC2.Cl
Properties
Complexity:
167
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:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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