| CAS Number | 34782-06-4 |
| Catalog Number | AG00C8QM(AGN-PC-0RA63B) |
| Chemical Name | 1-(3-Chloropropyl)piperazine diHCl hemihydrate |
| EC Number | 252-211-4 |
| IUPAC Name | 1-(3-chloropropyl)piperazine;hydrate;dihydrochloride |
| InChI | InChI=1S/C7H15ClN2.2ClH.H2O/c8-2-1-5-10-6-3-9-4-7-10;;;/h9H,1-7H2;2*1H;1H2 |
| InChI Key | SZJBSCDUZKUYQE-UHFFFAOYSA-N |
| MDL Number | MFCD00012757 |
| Molecular Formula | C7H19Cl3N2O |
| Molecular Weight | 253.5976 |
| SMILES | O.Cl.Cl.ClCCCN1CCNCC1 |
| Synonyms | 34782-06-4,
1-(3-Chloroprop-1-yl)piperazine dihydrochloride hemihydrate,
1-(3-Chloropropyl)piperazine dihydrochloride monohydrate,
1-(3-chloropropyl)piperazine hydrate dihydrochloride,
1-(3-Chloropropyl)piperazine dihydrochloride hemihydrate,
EINECS 252-211-4,
1-(3-Chloropropyl)piperazine HCl hydrate,
AC1MI1OG,
ZX-AT003602,
MFCD00150090,
OR6879,
ACM34782064,
1-(3-Chloropropyl)piperazine diHCl hemihydrate,
K-7905,
782C064,
1-(3-Chloropropyl)piperazine dihydrochloride hemi-hydrate,
1049713-57-6,
C7H15ClN2.2ClH,
C7-H15-Cl-N2.2Cl-H,
CID3015711,
|
| Complexity | 81.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.592g/mol |
| Monoisotopic Mass | 252.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 16.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number