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65875-39-0 | N'-(4-Methoxy-benzyl)-N,N-dimethyl-ethane-1,2-diamine
CAS No: 65875-39-0 Catalog No: AG01F8CO MDL No:
Product Description
Catalog Number:
AG01F8CO
Chemical Name:
N'-(4-Methoxy-benzyl)-N,N-dimethyl-ethane-1,2-diamine
CAS Number:
65875-39-0
Molecular Formula:
C12H20N2O
Molecular Weight:
208.3000
IUPAC Name:
N-[(4-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
InChI:
InChI=1S/C12H20N2O/c1-14(2)9-8-13-10-11-4-6-12(15-3)7-5-11/h4-7,13H,8-10H2,1-3H3
InChI Key:
QJYMFFDAQJBYQH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CNCCN(C)C
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.158g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.305g/mol
Monoisotopic Mass:
208.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
24.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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