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64982-61-2 | (S)-1-Methyl-1,2,3,4-tetrahydro-isoquinoline
CAS No: 64982-61-2 Catalog No: AG00EK1N MDL No:MFCD16875514
Product Description
Catalog Number:
AG00EK1N
Chemical Name:
(S)-1-Methyl-1,2,3,4-tetrahydro-isoquinoline
CAS Number:
64982-61-2
Molecular Formula:
C10H13N
Molecular Weight:
147.2169
MDL Number:
MFCD16875514
IUPAC Name:
(1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C10H13N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-5,8,11H,6-7H2,1H3/t8-/m0/s1
InChI Key:
QPILYVQSKNWRDD-QMMMGPOBSA-N
SMILES:
C[C@@H]1NCCc2c1cccc2
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
147.105g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.221g/mol
Monoisotopic Mass:
147.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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