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81562-79-0 | 1-Methyl-octahydro-isoquinolin-4a-ol
CAS No: 81562-79-0 Catalog No: AG01AR15 MDL No:MFCD05856377
Product Description
Catalog Number:
AG01AR15
Chemical Name:
1-Methyl-octahydro-isoquinolin-4a-ol
CAS Number:
81562-79-0
Molecular Formula:
C10H19NO
Molecular Weight:
169.2640
MDL Number:
MFCD05856377
IUPAC Name:
1-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
InChI:
InChI=1S/C10H19NO/c1-8-9-4-2-3-5-10(9,12)6-7-11-8/h8-9,11-12H,2-7H2,1H3
InChI Key:
LVDLOGDWSPRQQJ-UHFFFAOYSA-N
SMILES:
CC1NCCC2(C1CCCC2)O
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.147g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.268g/mol
Monoisotopic Mass:
169.147g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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