| CAS Number | 1400644-30-5 |
| Catalog Number | AG009X1W(AGN-PC-0WACKI) |
| Chemical Name | Benzyl N-[(3-methoxypropyl)carbamoylmethyl]carbamate |
| IUPAC Name | benzyl N-[2-(3-methoxypropylamino)-2-oxoethyl]carbamate |
| InChI | InChI=1S/C14H20N2O4/c1-19-9-5-8-15-13(17)10-16-14(18)20-11-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,15,17)(H,16,18) |
| InChI Key | JVQSDPXPFAVXGF-UHFFFAOYSA-N |
| MDL Number | MFCD22421528 |
| Molecular Formula | C14H20N2O4 |
| Molecular Weight | 280.3196 |
| SMILES | COCCCNC(=O)CNC(=O)OCc1ccccc1 |
| Synonyms | BENZYL N-[(3-METHOXYPROPYL)CARBAMOYLMETHYL]CARBAMATE,
1400644-30-5,
KM3956,
ZINC49412369,
AKOS026673227,
V2994,
BENZYL N-{[(3-METHOXYPROPYL)CARBAMOYL]METHYL}CARBAMATE,
JVQSDPXPFAVXGF-UHFFFAOYSA-N,
C14H20N2O4,
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| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.324g/mol |
| Monoisotopic Mass | 280.142g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 76.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number