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6485-55-8 | Cis-2,6-Dimethylmorpholine
CAS No: 6485-55-8 Catalog No: AG0034M8 MDL No:MFCD00078428
Product Description
Catalog Number:
AG0034M8
Chemical Name:
Cis-2,6-Dimethylmorpholine
CAS Number:
6485-55-8
Molecular Formula:
C6H13NO
Molecular Weight:
115.1735
MDL Number:
MFCD00078428
IUPAC Name:
(2S,6R)-2,6-dimethylmorpholine
InChI:
InChI=1S/C6H13NO/c1-5-3-7-4-6(2)8-5/h5-7H,3-4H2,1-2H3/t5-,6+
InChI Key:
HNVIQLPOGUDBSU-OLQVQODUSA-N
SMILES:
C[C@@H]1CNC[C@@H](O1)C
EC Number:
229-353-0
UNII:
VWD860P007
Properties
Complexity:
66.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
115.1g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
115.176g/mol
Monoisotopic Mass:
115.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | Chemical research in toxicology 20050601 |
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