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16728-63-5 | 1-Propanamine, 3-(cyclohexyloxy)-
CAS No: 16728-63-5 Catalog No: AG001X9M MDL No:MFCD07339038
Product Description
Catalog Number:
AG001X9M
Chemical Name:
1-Propanamine, 3-(cyclohexyloxy)-
CAS Number:
16728-63-5
Molecular Formula:
C9H19NO
Molecular Weight:
157.2533
MDL Number:
MFCD07339038
IUPAC Name:
3-cyclohexyloxypropan-1-amine
InChI:
InChI=1S/C9H19NO/c10-7-4-8-11-9-5-2-1-3-6-9/h9H,1-8,10H2
InChI Key:
ZRXXYJYSVHQULF-UHFFFAOYSA-N
SMILES:
NCCCOC1CCCCC1
EC Number:
605-472-7
Properties
Complexity:
89.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.147g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.257g/mol
Monoisotopic Mass:
157.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.2A^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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