| CAS Number | 53913-95-4 |
| Catalog Number | AG01ATAI(AGN-PC-0NI9SE) |
| Chemical Name | (4-Aminobut-2-yn-1-yl)dimethylamine |
| IUPAC Name | N',N'-dimethylbut-2-yne-1,4-diamine |
| InChI | InChI=1S/C6H12N2/c1-8(2)6-4-3-5-7/h5-7H2,1-2H3 |
| InChI Key | KBCNCLOIEKNIFI-UHFFFAOYSA-N |
| MDL Number | MFCD19216583 |
| Molecular Formula | C6H12N2 |
| Molecular Weight | 112.1729 |
| SMILES | CN(CC#CCN)C |
| Synonyms | (4-aminobut-2-yn-1-yl)dimethylamine,
N,N-dimethyl-1,4-diamino-2-butyne,
53913-95-4,
F2147-1061,
4-dimethylamino-2-butynylamine,
SCHEMBL2369753,
KBCNCLOIEKNIFI-UHFFFAOYSA-N,
4-(dimethylamino)-but-2-ynylamin,
ZINC13858991,
AKOS006348069,
MCULE-6629203677,
(4-AMINO-2-BUTYN-1-YL)DIMETHYLAMINE,
N,N-dimethylbut-2-yne-1,4-diamine dihydrochloride,
147555-80-4,
|
| Complexity | 104 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 112.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 112.176g/mol |
| Monoisotopic Mass | 112.1g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
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Certificate of Analysis
Lot Number