| CAS Number | 30796-90-8 |
| Catalog Number | AG00C2LM(AGN-PC-0WB5YT) |
| Chemical Name | Hexahydro-2-methyl-1H-azepine Hydrochloride |
| IUPAC Name | 2-methylazepane;hydrochloride |
| InChI | InChI=1S/C7H15N.ClH/c1-7-5-3-2-4-6-8-7;/h7-8H,2-6H2,1H3;1H |
| InChI Key | BYKPDCIMYRNMEB-UHFFFAOYSA-N |
| MDL Number | MFCD27500876 |
| Molecular Formula | C7H16ClN |
| Molecular Weight | 149.6616 |
| SMILES | Cl.CC1CCCCCN1 |
| Synonyms | 2-methylazepane hydrochloride,
30796-90-8,
2-Methylazepane HCl,
Hexahydro-2-methyl-1H-azepine Hydrochloride,
SCHEMBL84500,
DTXSID80735409,
BYKPDCIMYRNMEB-UHFFFAOYSA-N,
MFCD27500876,
2-Methylhexamethylenimine Hydrochloride,
AKOS026744211,
NE40782,
2-Methylazepane--hydrogen chloride (1/1),
2-methylhexahydro-1H-azepine hydrochloride,
CS-0036910,
FT-0669177,
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| Complexity | 61.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.662g/mol |
| Monoisotopic Mass | 149.097g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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