| CAS Number | 88840-42-0 |
| Catalog Number | AG004BPS(AGN-PC-0DB7RR) |
| Chemical Name | Piperidinium, 1-methyl-1-propyl-, bromide |
| IUPAC Name | 1-methyl-1-propylpiperidin-1-ium;bromide |
| InChI | InChI=1S/C9H20N.BrH/c1-3-7-10(2)8-5-4-6-9-10;/h3-9H2,1-2H3;1H/q+1;/p-1 |
| InChI Key | CSANMXKHSHGXNC-UHFFFAOYSA-M |
| MDL Number | MFCD17014743 |
| Molecular Formula | C9H20BrN |
| Molecular Weight | 222.1658 |
| SMILES | [Br-].C[N+]1(CCCCC1)CCC |
| Synonyms | 1-Methyl-1-propylpiperidinium bromide,
88840-42-0,
Piperidinium, 1-methyl-1-propyl-, bromide,
ACMC-20lecw,
DSSTox_CID_29329,
DSSTox_RID_83445,
DSSTox_GSID_49370,
SCHEMBL1976599,
DTXSID9049370,
CTK3A5736,
KS-000017QI,
Tox21_202669,
1-Methyl-1-propylpiperidiniumBromide,
MFCD17014743,
N-methyl-N-propylpiperidinium bromide,
NCGC00260217-01,
CAS-88840-42-0,
M1976,
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| Complexity | 92.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.17g/mol |
| Monoisotopic Mass | 221.078g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number