| CAS Number | 13865-46-8 |
| Catalog Number | AG007LPG(AGN-PC-0JLL28) |
| Chemical Name | Dodecan-2-amine |
| EC Number | 237-612-4 |
| IUPAC Name | dodecan-2-amine |
| InChI | InChI=1S/C12H27N/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12H,3-11,13H2,1-2H3 |
| InChI Key | VXUXKOBYNVVANW-UHFFFAOYSA-N |
| MDL Number | MFCD00972976 |
| Molecular Formula | C12H27N |
| Molecular Weight | 185.3495 |
| SMILES | CCCCCCCCCCC(N)C |
| Synonyms | dodecan-2-amine,
1-Methylundecylamine,
2-Dodecanamine,
13865-46-8,
2-Aminododecan,
2-amino dodecane,
EINECS 237-612-4,
AC1L3KAP,
SCHEMBL458142,
CTK0I0304,
VXUXKOBYNVVANW-UHFFFAOYSA-N,
AKOS009391936,
NE30463,
C12-H27-N,
CID117167,
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| Complexity | 91.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.214g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.355g/mol |
| Monoisotopic Mass | 185.214g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
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Certificate of Analysis
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