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87463-45-4 | Isoquinoline, 1,2,3,4,4a,7,8,8a-octahydro-2-methyl-, cis-
CAS No: 87463-45-4 Catalog No: AG004K5K MDL No:
Product Description
Catalog Number:
AG004K5K
Chemical Name:
Isoquinoline, 1,2,3,4,4a,7,8,8a-octahydro-2-methyl-, cis-
CAS Number:
87463-45-4
Molecular Formula:
C10H17N
Molecular Weight:
151.2487
IUPAC Name:
(4aR,8aS)-2-methyl-3,4,4a,7,8,8a-hexahydro-1H-isoquinoline
InChI:
InChI=1S/C10H17N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2,4,9-10H,3,5-8H2,1H3/t9-,10+/m0/s1
InChI Key:
FFRPUJRMSRPREA-VHSXEESVSA-N
SMILES:
CN1CC[C@H]2[C@@H](C1)CCC=C2
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
151.136g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.253g/mol
Monoisotopic Mass:
151.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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