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150448-64-9 | 3-Isoquinolinecarboxamide, 1,2,3,4-tetrahydro-, (R)- (9CI)
CAS No: 150448-64-9 Catalog No: AG001MMZ MDL No:MFCD08059291
Product Description
Catalog Number:
AG001MMZ
Chemical Name:
3-Isoquinolinecarboxamide, 1,2,3,4-tetrahydro-, (R)- (9CI)
CAS Number:
150448-64-9
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD08059291
IUPAC Name:
(3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
InChI:
InChI=1S/C10H12N2O/c11-10(13)9-5-7-3-1-2-4-8(7)6-12-9/h1-4,9,12H,5-6H2,(H2,11,13)/t9-/m1/s1
InChI Key:
JFMNKDRNEZZRBW-SECBINFHSA-N
SMILES:
NC(=O)[C@@H]1NCc2c(C1)cccc2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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