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1009247-18-0 | 1-Amino-3-((3,3,5-trimethylcyclohexyl)oxy)propan-2-ol
CAS No: 1009247-18-0 Catalog No: AG01FMHH MDL No:MFCD07644642
Product Description
Catalog Number:
AG01FMHH
Chemical Name:
1-Amino-3-((3,3,5-trimethylcyclohexyl)oxy)propan-2-ol
CAS Number:
1009247-18-0
Molecular Formula:
C12H25NO2
Molecular Weight:
215.3324
MDL Number:
MFCD07644642
IUPAC Name:
1-amino-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol
InChI:
InChI=1S/C12H25NO2/c1-9-4-11(6-12(2,3)5-9)15-8-10(14)7-13/h9-11,14H,4-8,13H2,1-3H3
InChI Key:
KXHDTRSUOYXLSW-UHFFFAOYSA-N
SMILES:
NCC(COC1CC(C)CC(C1)(C)C)O
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.189g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.337g/mol
Monoisotopic Mass:
215.189g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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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