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878684-94-7 | 3-(3,4-Diethoxyphenyl);propan-1-amine
CAS No: 878684-94-7 Catalog No: AG004EDX MDL No:MFCD07392617
Product Description
Catalog Number:
AG004EDX
Chemical Name:
3-(3,4-Diethoxyphenyl);propan-1-amine
CAS Number:
878684-94-7
Molecular Formula:
C13H21NO2
Molecular Weight:
223.3113
MDL Number:
MFCD07392617
IUPAC Name:
3-(3,4-diethoxyphenyl)propan-1-amine
InChI:
InChI=1S/C13H21NO2/c1-3-15-12-8-7-11(6-5-9-14)10-13(12)16-4-2/h7-8,10H,3-6,9,14H2,1-2H3
InChI Key:
WMIRKPVYZTYOTL-UHFFFAOYSA-N
SMILES:
NCCCc1ccc(c(c1)OCC)OCC
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.157g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.316g/mol
Monoisotopic Mass:
223.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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