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119322-88-2 | 1,3-Dioxolane-4,5-dimethanamine, 2,2-dimethyl-, (4S,5S)-
CAS No: 119322-88-2 Catalog No: AG000ILB MDL No:
Product Description
Catalog Number:
AG000ILB
Chemical Name:
1,3-Dioxolane-4,5-dimethanamine, 2,2-dimethyl-, (4S,5S)-
CAS Number:
119322-88-2
Molecular Formula:
C7H16N2O2
Molecular Weight:
160.2141
IUPAC Name:
[(4S,5S)-5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine
InChI:
InChI=1S/C7H16N2O2/c1-7(2)10-5(3-8)6(4-9)11-7/h5-6H,3-4,8-9H2,1-2H3/t5-,6-/m0/s1
InChI Key:
KQGQLRAYJUXGOW-WDSKDSINSA-N
SMILES:
NC[C@@H]1OC(O[C@H]1CN)(C)C
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
160.121g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
160.217g/mol
Monoisotopic Mass:
160.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
Literature
| Title | Journal |
|---|---|
| Characterisation of glycoprotein ligands synthesised using solid-phase combinatorial chemistry. | Journal of chromatography. A 20050520 |
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