| CAS Number | 79990-06-0 |
| Catalog Number | AG008KQA(AGN-PC-0JP2TS) |
| Chemical Name | Benzyl N-[(diethylcarbamoyl)methyl]carbamate |
| IUPAC Name | benzyl N-[2-(diethylamino)-2-oxoethyl]carbamate |
| InChI | InChI=1S/C14H20N2O3/c1-3-16(4-2)13(17)10-15-14(18)19-11-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,15,18) |
| InChI Key | HMKYEXVMONNYQW-UHFFFAOYSA-N |
| MDL Number | MFCD07636529 |
| Molecular Formula | C14H19N2O3 |
| Molecular Weight | 263.3123 |
| NSC Number | 125635 |
| SMILES | CCN(C(=O)CN(C(=O)[O-])Cc1ccccc1)CC |
| Synonyms | BENZYL N-[(DIETHYLCARBAMOYL)METHYL]CARBAMATE,
79990-06-0,
NSC125635,
AC1L5LAR,
AC1Q5IES,
CHEMBL78147,
ZINC1714682,
KM3989,
AKOS008853607,
NSC-125635,
CJ-06806,
V7813,
benzyl N-[2-(diethylamino)-2-oxoethyl]carbamate,
Diethylcarbamoylmethyl-carbamic acid benzyl ester,
C14H20N2O3,
AR-1H9650,
CID277134,
benzyl[2-(diethylamino)-2-oxoethyl]carbamate,
benzyl (2-(diethylamino)-2-oxoethyl)carbamate,
81065-85-2,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.325g/mol |
| Monoisotopic Mass | 264.147g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number