| CAS Number | 3560-45-0 |
| Catalog Number | AG00I72C(AGN-PC-0NDMXT) |
| Chemical Name | Benzyl 2-(2-hydroxyethylamino)ethylcarbamate |
| IUPAC Name | benzyl N-[2-(2-hydroxyethylamino)ethyl]carbamate |
| InChI | InChI=1S/C12H18N2O3/c15-9-8-13-6-7-14-12(16)17-10-11-4-2-1-3-5-11/h1-5,13,15H,6-10H2,(H,14,16) |
| InChI Key | FSUJQLPVNJKXBI-UHFFFAOYSA-N |
| MDL Number | MFCD27979504 |
| Molecular Formula | C12H18N2O3 |
| Molecular Weight | 238.2829 |
| SMILES | OCCNCCNC(=O)OCc1ccccc1 |
| Synonyms | 3560-45-0,
benzyl 2-(2-hydroxyethylamino)ethylcarbamate,
Benzyl 2-(2-hydroxyethylamino) ethylcarbamate,
Benzyl (2-((2-hydroxyethyl)amino)ethyl)carbamate,
FSUJQLPVNJKXBI-UHFFFAOYSA-N,
MFCD27979504,
ZINC34581922,
FT-0717241,
benzyl{2-[(2-hydroxyethyl)amino]ethyl}carbamate,
CID10966561,
Benzyl N-[2-(2-hydroxyethylamino)ethyl]carbamate,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.287g/mol |
| Monoisotopic Mass | 238.132g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 70.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number