| CAS Number | 1072-09-9 |
| Catalog Number | AG01EK5P(AGN-PC-0009F9) |
| Chemical Name | 6-(Dimethylamino)hexanoic acid |
| IUPAC Name | 6-(dimethylamino)hexanoic acid |
| InChI | InChI=1S/C8H17NO2/c1-9(2)7-5-3-4-6-8(10)11/h3-7H2,1-2H3,(H,10,11) |
| InChI Key | SWCSXNZBAVHUMT-UHFFFAOYSA-N |
| MDL Number | MFCD20318750 |
| Molecular Formula | C8H17NO2 |
| Molecular Weight | 159.2261 |
| SMILES | CN(CCCCCC(O)=O)C |
| Synonyms | 6-(dimethylamino)hexanoic acid,
Hexanoic acid, 6-(dimethylamino)-,
1072-09-9,
SWCSXNZBAVHUMT-UHFFFAOYSA-N,
6-(N,N-Dimethylamino)hexanoic acid,
ZINC34214793,
AKOS013619182,
A1-05792,
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| Complexity | 113 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.229g/mol |
| Monoisotopic Mass | 159.126g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2 |
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Certificate of Analysis
Lot Number