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158663-49-1 | N*1*-(2-Methoxy-benzyl)-N*1*-methyl-ethane-1,2-diamine
CAS No: 158663-49-1 Catalog No: AG01F828 MDL No:
Product Description
Catalog Number:
AG01F828
Chemical Name:
N*1*-(2-Methoxy-benzyl)-N*1*-methyl-ethane-1,2-diamine
CAS Number:
158663-49-1
Molecular Formula:
C11H18N2O
Molecular Weight:
194.2734
IUPAC Name:
N'-[(2-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
InChI:
InChI=1S/C11H18N2O/c1-13(8-7-12)9-10-5-3-4-6-11(10)14-2/h3-6H,7-9,12H2,1-2H3
InChI Key:
LWARCWQMBLGKAG-UHFFFAOYSA-N
SMILES:
NCCN(Cc1ccccc1OC)C
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.142g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.278g/mol
Monoisotopic Mass:
194.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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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