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254102-05-1 | (3S)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CAS No: 254102-05-1 Catalog No: AG01C511 MDL No:MFCD18165569
Product Description
Catalog Number:
AG01C511
Chemical Name:
(3S)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CAS Number:
254102-05-1
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
MDL Number:
MFCD18165569
IUPAC Name:
(3S)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
InChI:
InChI=1S/C11H14N2O/c1-12-11(14)10-6-8-4-2-3-5-9(8)7-13-10/h2-5,10,13H,6-7H2,1H3,(H,12,14)/t10-/m0/s1
InChI Key:
FPGCNHBNSLPKMJ-JTQLQIEISA-N
SMILES:
CNC(=O)[C@H]1NCc2c(C1)cccc2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
190.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.246g/mol
Monoisotopic Mass:
190.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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