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133211-60-6 | N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide hydrochloride
CAS No: 133211-60-6 Catalog No: AG01C3V3 MDL No:MFCD29060551
Product Description
Catalog Number:
AG01C3V3
Chemical Name:
N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide hydrochloride
CAS Number:
133211-60-6
Molecular Formula:
C12H17ClN2O
Molecular Weight:
240.7292
MDL Number:
MFCD29060551
IUPAC Name:
N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
InChI:
InChI=1S/C12H16N2O.ClH/c1-2-13-12(15)11-7-9-5-3-4-6-10(9)8-14-11;/h3-6,11,14H,2,7-8H2,1H3,(H,13,15);1H
InChI Key:
BOYNELRZIHUPGK-UHFFFAOYSA-N
SMILES:
CCNC(=O)C1NCc2c(C1)cccc2.Cl
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
240.731g/mol
Monoisotopic Mass:
240.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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