| CAS Number | 1185312-79-1 |
| Catalog Number | AG007Q50(AGN-PC-07HAHX) |
| Chemical Name | 1-((6-Chloropyridin-3-yl)methyl)piperazine dihydrochloride |
| IUPAC Name | 1-[(6-chloropyridin-3-yl)methyl]piperazine;dihydrochloride |
| InChI | InChI=1S/C10H14ClN3.2ClH/c11-10-2-1-9(7-13-10)8-14-5-3-12-4-6-14;;/h1-2,7,12H,3-6,8H2;2*1H |
| InChI Key | AJTIVHSPXBIEOC-UHFFFAOYSA-N |
| MDL Number | MFCD09607616 |
| Molecular Formula | C10H16Cl3N3 |
| Molecular Weight | 284.6131 |
| SMILES | N1=CC(=CC=C1Cl)CN1CCNCC1.Cl.Cl |
| Synonyms | 1-((6-Chloropyridin-3-yl)methyl)piperazine dihydrochloride,
1185312-79-1,
1-[(6-CHLORO-3-PYRIDINYL)METHYL]PIPERAZINE DIHYDROCHLORIDE,
1-(6-Chloro-pyridin-3-ylmethyl)-piperazine dihydrochloride,
1-[(6-chloropyridin-3-yl)methyl]piperazine dihydrochloride,
C10H16Cl3N3,
CTK8C5030,
ZX-CM009409,
3030AA,
ANW-73797,
MFCD09607616,
AKOS015900433,
AX8213271,
DB-061323,
TC-162542,
FT-0746272,
I13-453,
1-(6-Chloropyridin-3-ylmethyl)piperazine dihydrochloride,
1-(6-chloro-pyridin-3-ylmethyl)-piperazine dihydrochloride, AldrichCPR,
1135439-04-1,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.609g/mol |
| Monoisotopic Mass | 283.041g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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