| CAS Number | 1400744-19-5 |
| Catalog Number | AG001C06(AGN-PC-0WBSOI) |
| Chemical Name | 3-Piperidinemethanamine, 1-methyl-, hydrochloride (1:2), (3S)- |
| IUPAC Name | [(3S)-1-methylpiperidin-3-yl]methanamine;dihydrochloride |
| InChI | InChI=1S/C7H16N2.2ClH/c1-9-4-2-3-7(5-8)6-9;;/h7H,2-6,8H2,1H3;2*1H/t7-;;/m0../s1 |
| InChI Key | WGPVXFHARJYQQA-KLXURFKVSA-N |
| MDL Number | MFCD21641985 |
| Molecular Formula | C7H18Cl2N2 |
| Molecular Weight | 201.1372 |
| SMILES | NC[C@H]1CN(C)CCC1.[H]Cl.[H]Cl |
| Synonyms | 1400744-19-5,
(S)-(1-Methylpiperidin-3-yl)methanamine dihydrochloride,
[(3S)-1-methylpiperidin-3-yl]methanamine dihydrochloride,
(S)-1-METHYL-3-AMINOMETHYL-PIPERIDINE DIHYDROCHLORIDE,
(S)-1-Methyl-3-aminomethyl-piperidine 2HCl,
MFCD21641985,
AKOS025146584,
PB11507,
SB10249,
KS-0000034N,
AK165462,
AS-33506,
CS-0053044,
Q-2163,
[(3S)-1-Methyl-3-piperidyl]methanamine dihydrochloride,
3-Piperidinemethanamine, 1-methyl-, hydrochloride (1:2), (3S)-,
1217604-20-0,
|
| Complexity | 83 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.135g/mol |
| Monoisotopic Mass | 200.085g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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