| CAS Number | 39077-52-6 |
| Catalog Number | AG01C27A |
| Chemical Name | 1,2-Dimethylcyclohexan-1-amine |
| IUPAC Name | 1,2-dimethylcyclohexan-1-amine |
| InChI | InChI=1S/C8H17N/c1-7-5-3-4-6-8(7,2)9/h7H,3-6,9H2,1-2H3 |
| InChI Key | KMLNXROOABNOMI-UHFFFAOYSA-N |
| MDL Number | MFCD12067738 |
| Molecular Formula | C8H17N |
| Molecular Weight | 127.2273 |
| SMILES | CC1C(N)(C)CCCC1 |
| Synonyms | 1,2-dimethylcyclohexan-1-amine,
39077-52-6,
AC1MIBQ7,
SCHEMBL35605,
AKOS009996954,
Z2255142369,
CID3021679,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.231g/mol |
| Monoisotopic Mass | 127.136g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number