| CAS Number | 14731-37-4 |
| Catalog Number | AG019S4B(AGN-PC-0NI30J) |
| Chemical Name | N,N-Dimethyl-3-butyn-1-amine |
| IUPAC Name | N,N-dimethylbut-3-yn-1-amine |
| InChI | InChI=1S/C6H11N/c1-4-5-6-7(2)3/h1H,5-6H2,2-3H3 |
| InChI Key | WSCWSMUKWIYUFV-UHFFFAOYSA-N |
| MDL Number | MFCD18851244 |
| Molecular Formula | C6H11N |
| Molecular Weight | 97.1582 |
| SMILES | C#CCCN(C)C |
| Synonyms | (but-3-yn-1-yl)dimethylamine,
14731-37-4,
N,N-dimethylbut-3-yn-1-amine,
but-3-ynyl-dimethyl-amine,
N,N-Dimethyl-3-butyne-1-amine,
WSCWSMUKWIYUFV-UHFFFAOYSA-N,
ZINC38888081,
AKOS012966933,
NE16394,
|
| Complexity | 75.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 97.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 97.161g/mol |
| Monoisotopic Mass | 97.089g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number