| CAS Number | 1042524-46-8 |
| Catalog Number | AG01AB24 |
| Chemical Name | 3-[(2-ethylbutyl)amino]propanenitrile |
| IUPAC Name | 3-(2-ethylbutylamino)propanenitrile |
| InChI | InChI=1S/C9H18N2/c1-3-9(4-2)8-11-7-5-6-10/h9,11H,3-5,7-8H2,1-2H3 |
| InChI Key | JUMZVQOZMJFHKA-UHFFFAOYSA-N |
| MDL Number | MFCD11166641 |
| Molecular Formula | C9H18N2 |
| Molecular Weight | 154.2526 |
| SMILES | CCC(CNCCC#N)CC |
| Synonyms | 3-[(2-ethylbutyl)amino]propanenitrile,
1042524-46-8,
AC1Q2SFH,
ZINC20199464,
AKOS009010447,
MCULE-3801604496,
NE23894,
EN300-70245,
Z90583397,
|
| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.257g/mol |
| Monoisotopic Mass | 154.147g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number