| CAS Number | 1049733-90-5 |
| Catalog Number | AG00HAHG(AGN-PC-0WB6FU) |
| Chemical Name | 1-(4-Fluorobenzyl)homopiperazine dihydrochloride hydrate |
| IUPAC Name | 1-[(4-fluorophenyl)methyl]-1,4-diazepane;hydrate;dihydrochloride |
| InChI | InChI=1S/C12H17FN2.2ClH.H2O/c13-12-4-2-11(3-5-12)10-15-8-1-6-14-7-9-15;;;/h2-5,14H,1,6-10H2;2*1H;1H2 |
| InChI Key | JWEBWGCPXUOYJA-UHFFFAOYSA-N |
| MDL Number | MFCD04973342 |
| Molecular Formula | C12H21Cl2FN2O |
| Molecular Weight | 299.2123 |
| SMILES | N1(CCNCCC1)CC1C=CC(=CC=1)F.Cl.Cl.O |
| Synonyms | 1049733-90-5,
1-(4-Fluorobenzyl)-1,4-diazepane dihydrochloride hydrate,
1-(4-Fluorobenzyl)homopiperazine dihydrochloride hydrate,
1-[(4-fluorophenyl)methyl]-1,4-diazepane Hydrate Dihydrochloride,
AC1MD3E7,
CTK7C0446,
ZX-AP005548,
ZX-CM002904,
MFCD07368777,
PC9880,
AKOS027426006,
4004622-25G,
4004622-50G,
CID2782942,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.211g/mol |
| Monoisotopic Mass | 298.101g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 16.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number