| CAS Number | 100551-78-8 |
| Catalog Number | AG01AAYV(AGN-PC-01URKP) |
| Chemical Name | 3-[(2,2-dimethylpropyl)amino]propanenitrile |
| IUPAC Name | 3-(2,2-dimethylpropylamino)propanenitrile |
| InChI | InChI=1S/C8H16N2/c1-8(2,3)7-10-6-4-5-9/h10H,4,6-7H2,1-3H3 |
| InChI Key | IDTPNXPTARMCAY-UHFFFAOYSA-N |
| MDL Number | MFCD14593265 |
| Molecular Formula | C8H16N2 |
| Molecular Weight | 140.2260 |
| SMILES | CC(CNCCC#N)(C)C |
| Synonyms | 3-[(2,2-dimethylpropyl)amino]propanenitrile,
100551-78-8,
AC1Q1MIW,
ZINC40493695,
AKOS008147879,
MCULE-2882971176,
NE28807,
EN300-69957,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.23g/mol |
| Monoisotopic Mass | 140.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number