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875-63-8 | Quinoline,decahydro-1-methyl-, (4aR,8aS)-rel-
CAS No: 875-63-8 Catalog No: AG004RL8 MDL No:
Product Description
Catalog Number:
AG004RL8
Chemical Name:
Quinoline,decahydro-1-methyl-, (4aR,8aS)-rel-
CAS Number:
875-63-8
Molecular Formula:
C10H19N
Molecular Weight:
153.2646
IUPAC Name:
(4aS,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
InChI:
InChI=1S/C10H19N/c1-11-8-4-6-9-5-2-3-7-10(9)11/h9-10H,2-8H2,1H3/t9-,10+/m0/s1
InChI Key:
AAARTTJTRNAYHQ-VHSXEESVSA-N
SMILES:
CN1CCC[C@H]2[C@H]1CCCC2
EC Number:
212-875-8
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
153.152g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.269g/mol
Monoisotopic Mass:
153.152g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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