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126317-99-5 | 2H-Pyran-4-ethanamine, tetrahydro-2,2-dimethyl-4-phenyl-
CAS No: 126317-99-5 Catalog No: AG000SJO MDL No:MFCD01002968
Product Description
Catalog Number:
AG000SJO
Chemical Name:
2H-Pyran-4-ethanamine, tetrahydro-2,2-dimethyl-4-phenyl-
CAS Number:
126317-99-5
Molecular Formula:
C15H23NO
Molecular Weight:
233.3492
MDL Number:
MFCD01002968
IUPAC Name:
2-(2,2-dimethyl-4-phenyloxan-4-yl)ethanamine
InChI:
InChI=1S/C15H23NO/c1-14(2)12-15(8-10-16,9-11-17-14)13-6-4-3-5-7-13/h3-7H,8-12,16H2,1-2H3
InChI Key:
YZLPLFKCBAIVRZ-UHFFFAOYSA-N
SMILES:
NCCC1(CCOC(C1)(C)C)c1ccccc1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.178g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.355g/mol
Monoisotopic Mass:
233.178g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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