| CAS Number | 35855-66-4 |
| Catalog Number | AG01AAO8(AGN-PC-0NI4U6) |
| Chemical Name | 3-[(2-Methoxyethyl)amino]propanenitrile |
| IUPAC Name | 3-(2-methoxyethylamino)propanenitrile |
| InChI | InChI=1S/C6H12N2O/c1-9-6-5-8-4-2-3-7/h8H,2,4-6H2,1H3 |
| InChI Key | CNZQGODWWMVZPT-UHFFFAOYSA-N |
| MDL Number | MFCD10687307 |
| Molecular Formula | C6H12N2O |
| Molecular Weight | 128.1723 |
| SMILES | COCCNCCC#N |
| Synonyms | 3-[(2-methoxyethyl)amino]propanenitrile,
35855-66-4,
3-((2-Methoxyethyl)amino)propanenitrile,
AC1Q4G66,
SCHEMBL11326739,
CTK7B3590,
BBL024553,
MFCD10687307,
STL356036,
ZINC19736937,
AKOS002671287,
MCULE-5586375310,
TR-050190,
BB 0255048,
H0374,
EN300-69134,
N/A,
|
| Complexity | 94.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.175g/mol |
| Monoisotopic Mass | 128.095g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 45A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number