| CAS Number | 1394041-31-6 |
| Catalog Number | AG01A0KV(AGN-PC-0WOW1D) |
| Chemical Name | 3-(2-Aminoethyl)-1-cyclohexylurea dihydrochloride |
| IUPAC Name | 1-(2-aminoethyl)-3-cyclohexylurea;dihydrochloride |
| InChI | InChI=1S/C9H19N3O.2ClH/c10-6-7-11-9(13)12-8-4-2-1-3-5-8;;/h8H,1-7,10H2,(H2,11,12,13);2*1H |
| InChI Key | UQLOQVWQQYQFEK-UHFFFAOYSA-N |
| MDL Number | MFCD22378759 |
| Molecular Formula | C9H21Cl2N3O |
| Molecular Weight | 258.1885 |
| SMILES | O=C(NCCN)NC1CCCCC1.[H]Cl.[H]Cl |
| Synonyms | 3-(2-aminoethyl)-1-cyclohexylurea dihydrochloride,
1394041-31-6,
AKOS016907849,
MCULE-8800188401,
NE16913,
Z1436185299,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.187g/mol |
| Monoisotopic Mass | 257.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number