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404576-49-4 | 6-ethyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS No: 404576-49-4 Catalog No: AG01DWEU MDL No:MFCD28900411
Product Description
Catalog Number:
AG01DWEU
Chemical Name:
6-ethyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS Number:
404576-49-4
Molecular Formula:
C11H16ClN
Molecular Weight:
197.7044
MDL Number:
MFCD28900411
IUPAC Name:
6-ethyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
InChI:
InChI=1S/C11H15N.ClH/c1-2-9-3-4-11-8-12-6-5-10(11)7-9;/h3-4,7,12H,2,5-6,8H2,1H3;1H
InChI Key:
LPPSHXCGOBXTCT-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)CCNC2.Cl
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.097g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.706g/mol
Monoisotopic Mass:
197.097g/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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