| CAS Number | 3182-83-0 |
| Catalog Number | AG00CU0V(AGN-PC-0N7FJJ) |
| Chemical Name | Butylamino-acetic acid ethyl ester |
| IUPAC Name | ethyl 2-(butylamino)acetate |
| InChI | InChI=1S/C8H17NO2/c1-3-5-6-9-7-8(10)11-4-2/h9H,3-7H2,1-2H3 |
| InChI Key | OJFGRDHUZSJJPB-UHFFFAOYSA-N |
| MDL Number | MFCD09953131 |
| Molecular Formula | C8H17NO2 |
| Molecular Weight | 159.2261 |
| SMILES | CCCCNCC(OCC)=O |
| Synonyms | ethyl 2-(butylamino)acetate,
3182-83-0,
Butylamino-acetic acid ethyl ester,
N-butylglycine ethyl ester,
ethyl 2-(n-butyl)aminoacetate,
ethyl N-butylglycinate,
SCHEMBL6074966,
Butylaminoacetic acid ethyl ester,
CTK8E5822,
Glycine, N-butyl-, ethyl ester,
DTXSID60442346,
OJFGRDHUZSJJPB-UHFFFAOYSA-N,
AB3730,
MFCD09953131,
ZINC20044437,
AKOS000256283,
TX-013395,
Ethyl 2-butylaminoacetate,
CID10607047,
|
| Complexity | 104 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.229g/mol |
| Monoisotopic Mass | 159.126g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number