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2164-42-3 | Benzyl-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-amine
CAS No: 2164-42-3 Catalog No: AG01F830 MDL No:
Product Description
Catalog Number:
AG01F830
Chemical Name:
Benzyl-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-amine
CAS Number:
2164-42-3
Molecular Formula:
C16H17NO2
Molecular Weight:
255.3117
IUPAC Name:
N-benzyl-1-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine
InChI:
InChI=1S/C16H17NO2/c1-2-6-13(7-3-1)10-17-11-14-12-18-15-8-4-5-9-16(15)19-14/h1-9,14,17H,10-12H2
InChI Key:
GQHPQUJGTWIWHZ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CNCC1COc2c(O1)cccc2
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.317g/mol
Monoisotopic Mass:
255.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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