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146092-05-9 | 1,3-Dioxolane-4,5-dimethanamine, 2-(1-methylethyl)-, (4R,5R)-
CAS No: 146092-05-9 Catalog No: AG001DOH MDL No:MFCD10000453
Product Description
Catalog Number:
AG001DOH
Chemical Name:
1,3-Dioxolane-4,5-dimethanamine, 2-(1-methylethyl)-, (4R,5R)-
CAS Number:
146092-05-9
Molecular Formula:
C8H18N2O2
Molecular Weight:
174.2407
MDL Number:
MFCD10000453
IUPAC Name:
[(4R,5R)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine
InChI:
InChI=1S/C8H18N2O2/c1-5(2)8-11-6(3-9)7(4-10)12-8/h5-8H,3-4,9-10H2,1-2H3/t6-,7-/m1/s1
InChI Key:
UUOFRXDFODYHPC-RNFRBKRXSA-N
SMILES:
NC[C@H]1OC(O[C@@H]1CN)C(C)C
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
174.137g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.244g/mol
Monoisotopic Mass:
174.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Literature
| Title | Journal |
|---|---|
| Synthesis and anticancer activity of lipophilic platinum(II) complexes of 3,5-diisopropylsalicylate. | European journal of medicinal chemistry 20080701 |
| Combination chemotherapy with 5-fluorouracil and heptaplatin as first-line treatment in patients with advanced gastric cancer. | Journal of Korean medical science 20040601 |
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