| CAS Number | 883805-52-5 |
| Catalog Number | AG01C47K |
| Chemical Name | 3-(2-Chloroethyl)-1-(propan-2-yl)urea |
| IUPAC Name | 1-(2-chloroethyl)-3-propan-2-ylurea |
| InChI | InChI=1S/C6H13ClN2O/c1-5(2)9-6(10)8-4-3-7/h5H,3-4H2,1-2H3,(H2,8,9,10) |
| InChI Key | ZKOVNWYVGDBEKU-UHFFFAOYSA-N |
| MDL Number | MFCD02671060 |
| Molecular Formula | C6H13ClN2O |
| Molecular Weight | 164.6332 |
| SMILES | CC(NC(NCCCl)=O)C |
| Synonyms | 3-(2-chloroethyl)-1-(propan-2-yl)urea,
883805-52-5,
AC1MR0YE,
SCHEMBL16059120,
ZKOVNWYVGDBEKU-UHFFFAOYSA-N,
1-(2-chloroethyl)-3-isopropylurea,
ZINC5498216,
AKOS008937245,
1-(2-chloroethyl)-3-propan-2-ylurea,
MCULE-6467035918,
N-(2-CHLOROETHYL)-N'-ISOPROPYLUREA,
CID3485544,
3-(2-chloroethyl)-1-propan-2-yl-urea,
|
| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.633g/mol |
| Monoisotopic Mass | 164.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number