| CAS Number | 78639-46-0 |
| Catalog Number | AG00G9M8(AGN-PC-0UDMNU) |
| Chemical Name | Benzyl N-[(isopropylcarbamoyl)methyl]carbamate |
| IUPAC Name | benzyl N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate |
| InChI | InChI=1S/C13H18N2O3/c1-10(2)15-12(16)8-14-13(17)18-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,17)(H,15,16) |
| InChI Key | IXUOEOAXHYIKHZ-UHFFFAOYSA-N |
| MDL Number | MFCD22421522 |
| Molecular Formula | C13H18N2O3 |
| Molecular Weight | 250.2936 |
| SMILES | CC(NC(=O)CNC(=O)OCc1ccccc1)C |
| Synonyms | BENZYL N-[(ISOPROPYLCARBAMOYL)METHYL]CARBAMATE,
78639-46-0,
CHEMBL101232,
SCHEMBL1687312,
IXUOEOAXHYIKHZ-UHFFFAOYSA-N,
KM3936,
ZINC26749929,
CJ-17504,
V7769,
(isopropylcarbamoylmethyl)carbamic acid benzyl ester,
benzyl N-{[(propan-2-yl)carbamoyl]methyl}carbamate,
(Isopropylcarbamoyl-methyl)-carbamic acid benzyl ester,
C13H18N2O3,
CID10729350,
Benzyl N-(propan-2-ylcarbamoylmethyl)carbamate,
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| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.298g/mol |
| Monoisotopic Mass | 250.132g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number