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2111-26-4 | 2-Propanol, 1-(dimethylamino)-3-(1-naphthalenyloxy)-
CAS No: 2111-26-4 Catalog No: AG002L5Y MDL No:
Product Description
Catalog Number:
AG002L5Y
Chemical Name:
2-Propanol, 1-(dimethylamino)-3-(1-naphthalenyloxy)-
CAS Number:
2111-26-4
Molecular Formula:
C15H19NO2
Molecular Weight:
245.3169
IUPAC Name:
1-(dimethylamino)-3-naphthalen-1-yloxypropan-2-ol
InChI:
InChI=1S/C15H19NO2/c1-16(2)10-13(17)11-18-15-9-5-7-12-6-3-4-8-14(12)15/h3-9,13,17H,10-11H2,1-2H3
InChI Key:
NRIDRINPRIUAKP-UHFFFAOYSA-N
SMILES:
CN(CC(COc1cccc2c1cccc2)O)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.322g/mol
Monoisotopic Mass:
245.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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