| CAS Number | 59084-01-4 |
| Catalog Number | AG01AIHA(AGN-PC-0KOAV4) |
| Chemical Name | Bis(4-benzylpiperidine-1-carboximidamide); sulfuric acid |
| IUPAC Name | 4-benzylpiperidine-1-carboximidamide;sulfuric acid |
| InChI | InChI=1S/2C13H19N3.H2O4S/c2*14-13(15)16-8-6-12(7-9-16)10-11-4-2-1-3-5-11;1-5(2,3)4/h2*1-5,12H,6-10H2,(H3,14,15);(H2,1,2,3,4) |
| InChI Key | RLRRQNSHDAKBCQ-UHFFFAOYSA-N |
| MDL Number | MFCD01701242 |
| Molecular Formula | C26H40N6O4S |
| Molecular Weight | 532.6986 |
| SMILES | NC(N1CCC(CC2=CC=CC=C2)CC1)=N.NC(N1CCC(CC2=CC=CC=C2)CC1)=N.OS(O)(=O)=O |
| Synonyms | 59084-01-4,
bis(4-benzylpiperidine-1-carboximidamide); sulfuric acid,
4-(Phenylmethyl)-1-piperidinecarboximidamide sulfate (2:1),
1-Piperidinecarboximidamide, 4-(phenylmethyl)-, sulfate (2:1),
EN300-77813,
AC1MICKQ,
4-Benzyl-1-piperidinecarboximidamide sulfate (2:1),
DTXSID50207825,
AKOS025458008,
MCULE-1115806808,
NE18766,
LS-114606,
4-benzylpiperidine-1-carboximidamide; sulfuric acid,
bis(4-benzylpiperidine-1-carboximidamide), sulfuric acid,
Z1395869466,
C26H38N6.H2O4S,
CID3042126,
C26-H38-N6.H2-O4-S,
|
| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 532.283g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 532.704g/mol |
| Monoisotopic Mass | 532.283g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 189A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number