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112794-30-6 | 1,2,3,4-tetrahydroisoquinoline-3-carboxamide hydrochloride
CAS No: 112794-30-6 Catalog No: AG019O3G MDL No:MFCD06673459
Product Description
Catalog Number:
AG019O3G
Chemical Name:
1,2,3,4-tetrahydroisoquinoline-3-carboxamide hydrochloride
CAS Number:
112794-30-6
Molecular Formula:
C10H13ClN2O
Molecular Weight:
212.6760
MDL Number:
MFCD06673459
IUPAC Name:
1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
InChI:
InChI=1S/C10H12N2O.ClH/c11-10(13)9-5-7-3-1-2-4-8(7)6-12-9;/h1-4,9,12H,5-6H2,(H2,11,13);1H
InChI Key:
YVDFHJIRJYRGKN-UHFFFAOYSA-N
SMILES:
NC(=O)C1NCc2c(C1)cccc2.Cl
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
212.677g/mol
Monoisotopic Mass:
212.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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