| CAS Number | 909398-60-3 |
| Catalog Number | AG003T63(AGN-PC-0VREMI) |
| Chemical Name | N-Methyl-1-Octylpyrrolidiniumchloride |
| IUPAC Name | 1-methyl-1-octylpyrrolidin-1-ium;chloride |
| InChI | InChI=1S/C13H28N.ClH/c1-3-4-5-6-7-8-11-14(2)12-9-10-13-14;/h3-13H2,1-2H3;1H/q+1;/p-1 |
| InChI Key | LNMCPMPHEHNPRY-UHFFFAOYSA-M |
| MDL Number | MFCD08458948 |
| Molecular Formula | C13H28ClN |
| Molecular Weight | 233.8211 |
| SMILES | C(CCCCCCC)[N+]1(C)CCCC1.[Cl-] |
| Synonyms | 909398-60-3,
N-Methyl-1-Octylpyrrolidiniumchloride,
1-METHYL-1-OCTYLPYRROLIDIN-1-IUM CHLORIDE,
N-METHYL-1-OCTYLPYRROLIDINIUM CHLORIDE,
SCHEMBL385278,
CTK5G8654,
DTXSID20624767,
KS-000002BV,
1-methyl-1-octylpyrrolidiniumchloride,
MFCD08458948,
AKOS030228650,
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| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.191g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.824g/mol |
| Monoisotopic Mass | 233.191g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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