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1192-95-6 | 1H-Azepine, hexahydro-1-methyl-
CAS No: 1192-95-6 Catalog No: AG000IDF MDL No:
Product Description
Catalog Number:
AG000IDF
Chemical Name:
1H-Azepine, hexahydro-1-methyl-
CAS Number:
1192-95-6
Molecular Formula:
C7H15N
Molecular Weight:
113.2007
IUPAC Name:
1-methylazepane
InChI:
InChI=1S/C7H15N/c1-8-6-4-2-3-5-7-8/h2-7H2,1H3
InChI Key:
ZKUKXSWKWGHYKJ-UHFFFAOYSA-N
SMILES:
CN1CCCCCC1
EC Number:
214-761-3
NSC Number:
148207
Properties
Complexity:
53.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.12g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
113.204g/mol
Monoisotopic Mass:
113.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Influence of structural variations in cationic and anionic moieties on the polarity of ionic liquids. | The journal of physical chemistry. B 20110811 |
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