| CAS Number | 56414-65-4 |
| Catalog Number | AG00EKPS(AGN-PC-00ITH2) |
| Chemical Name | Benzyl 2-oxo-2-(pyrrolidin-1-yl)ethylcarbamate |
| IUPAC Name | benzyl N-(2-oxo-2-pyrrolidin-1-ylethyl)carbamate |
| InChI | InChI=1S/C14H18N2O3/c17-13(16-8-4-5-9-16)10-15-14(18)19-11-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,15,18) |
| InChI Key | HUXWULXQFCLLDQ-UHFFFAOYSA-N |
| MDL Number | MFCD22421532 |
| Molecular Formula | C14H18N2O3 |
| Molecular Weight | 262.3043 |
| SMILES | O=C(OCC1=CC=CC=C1)NCC(N2CCCC2)=O |
| Synonyms | BENZYL 2-OXO-2-(PYRROLIDIN-1-YL)ETHYLCARBAMATE,
56414-65-4,
SCHEMBL8253758,
HUXWULXQFCLLDQ-UHFFFAOYSA-N,
KM3970,
ZINC49412408,
AKOS026673727,
CJ-20599,
1-[N-(Benzyloxycarbonyl)glycyl]pyrrolidine,
FT-0746280,
V6638,
benzyl N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]carbamate,
phenylmethyl [2-oxo-2-(1-pyrrolidinyl)ethyl]carbamate,
Phenylmethyl[2-oxo-2-(1-pyrrolidinyl)ethyl]carbamate,
C14H18N2O3,
CID11961339,
Benzyl N-(2-oxo-2-pyrrolidin-1-yl-ethyl)carbamate,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.309g/mol |
| Monoisotopic Mass | 262.132g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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