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154917-36-9 | 1,3-Dioxan-5-amine(9CI)
CAS No: 154917-36-9 Catalog No: AG001NGO MDL No:MFCD18805630
Product Description
Catalog Number:
AG001NGO
Chemical Name:
1,3-Dioxan-5-amine(9CI)
CAS Number:
154917-36-9
Molecular Formula:
C4H9NO2
Molecular Weight:
103.1198
MDL Number:
MFCD18805630
IUPAC Name:
1,3-dioxan-5-amine
InChI:
InChI=1S/C4H9NO2/c5-4-1-6-3-7-2-4/h4H,1-3,5H2
InChI Key:
AOLBMIGVOLSSNI-UHFFFAOYSA-N
SMILES:
NC1COCOC1
Properties
Complexity:
51.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
103.063g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
103.121g/mol
Monoisotopic Mass:
103.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
Literature
| Title | Journal |
|---|---|
| Serinol: small molecule - big impact. | AMB Express 20110101 |
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