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15029-31-9 | 3-(AZEPAN-1-YL)-3-OXOPROPANENITRILE
CAS No: 15029-31-9 Catalog No: AG01FLH6 MDL No:MFCD00608532
Product Description
Catalog Number:
AG01FLH6
Chemical Name:
3-(AZEPAN-1-YL)-3-OXOPROPANENITRILE
CAS Number:
15029-31-9
MDL Number:
MFCD00608532
IUPAC Name:
3-(azepan-1-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C9H14N2O/c10-6-5-9(12)11-7-3-1-2-4-8-11/h1-5,7-8H2
InChI Key:
RQFYTYZQYOWZRM-UHFFFAOYSA-N
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.111g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.224g/mol
Monoisotopic Mass:
166.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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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