| CAS Number | 7496-99-3 |
| Catalog Number | AG008OF7(AGN-PC-0WNLLM) |
| Chemical Name | 2-Methylazepane |
| IUPAC Name | 2-methylazepane |
| InChI | InChI=1S/C7H15N/c1-7-5-3-2-4-6-8-7/h7-8H,2-6H2,1H3 |
| InChI Key | LGONGMXQDFYGKU-UHFFFAOYSA-N |
| MDL Number | MFCD11036360 |
| Molecular Formula | C7H15N |
| Molecular Weight | 113.2007 |
| NSC Number | 405362 |
| SMILES | N1CCCCCC1C |
| Synonyms | 2-methylazepane,
7496-99-3,
NSC405362,
2-methylazacycloheptane,
2-Methyl-hexahydroazepine,
2-Methylhexahydro-1H-azepine,
SCHEMBL446418,
AC1L608E,
CTK2I0369,
1H-azepine, hexahydro-2-methyl-,
LGONGMXQDFYGKU-UHFFFAOYSA-N,
ALBB-016557,
MFCD11036360,
AKOS011834625,
MCULE-2095896439,
NSC-405362,
EN300-77558,
Y-6447,
CID238104,
30796-90-8,
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| Complexity | 61.4 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 113.204g/mol |
| Monoisotopic Mass | 113.12g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number