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16945-73-6 | 1,2,3,4-tetrahydroisoquinoline-1-carboxamide hydrochloride
CAS No: 16945-73-6 Catalog No: AG01B6J8 MDL No:MFCD28895621
Product Description
Catalog Number:
AG01B6J8
Chemical Name:
1,2,3,4-tetrahydroisoquinoline-1-carboxamide hydrochloride
CAS Number:
16945-73-6
Molecular Formula:
C10H13ClN2O
Molecular Weight:
212.6760
MDL Number:
MFCD28895621
IUPAC Name:
1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
InChI:
InChI=1S/C10H12N2O.ClH/c11-10(13)9-8-4-2-1-3-7(8)5-6-12-9;/h1-4,9,12H,5-6H2,(H2,11,13);1H
InChI Key:
JNOQWCCJHLJCSZ-UHFFFAOYSA-N
SMILES:
NC(=O)C1NCCc2c1cccc2.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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