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179893-97-1 | Isoquinoline, 1,2,3,4-tetrahydro-3-methyl-, (3R)-
CAS No: 179893-97-1 Catalog No: AG0027C0 MDL No:
Product Description
Catalog Number:
AG0027C0
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-3-methyl-, (3R)-
CAS Number:
179893-97-1
Molecular Formula:
C10H13N
Molecular Weight:
147.2169
IUPAC Name:
(3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C10H13N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-5,8,11H,6-7H2,1H3/t8-/m1/s1
InChI Key:
UEKQPSAKUNXFHL-MRVPVSSYSA-N
SMILES:
C[C@H]1NCc2c(C1)cccc2
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:
1.8
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