1-(Dimethylamino)-2-methyl-3-pentanone - CAS 51690-03-0
Catalog: |
BB027553 |
Product Name: |
1-(Dimethylamino)-2-methyl-3-pentanone |
CAS: |
51690-03-0 |
Synonyms: |
1-(dimethylamino)-2-methyl-3-pentanone; 1-(dimethylamino)-2-methylpentan-3-one |
IUPAC Name: | 1-(dimethylamino)-2-methylpentan-3-one |
Description: | 1-(Dimethylamino)-2-methyl-3-pentanone (CAS# 51690-03-0) is a useful research chemical. |
Molecular Weight: | 143.23 |
Molecular Formula: | C8H17NO |
Canonical SMILES: | CCC(=O)C(C)CN(C)C |
InChI: | InChI=1S/C8H17NO/c1-5-8(10)7(2)6-9(3)4/h7H,5-6H2,1-4H3 |
InChI Key: | QVWGKOYVOZJNRJ-UHFFFAOYSA-N |
Boiling Point: | 182.7 °C at 760 mmHg |
Density: | 0.866 g/cm3 |
MDL: | MFCD13185946 |
LogP: | 1.16320 |
Publication Number | Title | Priority Date |
CN-106674029-A | Preparation method of tapentadol intermediate | 20161223 |
CN-106674029-B | A kind of preparation method of tapentadol hydrochloride intermediate | 20161223 |
CN-107779480-A | The preparation method of tapentadol hydrochloride chiral intermediate | 20160831 |
CN-107779480-B | Preparation method of tapentadol chiral intermediate | 20160831 |
GB-2539442-A | New synthesis of tapentadol-HCI intermediates | 20150616 |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 143.131014166 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 143.131014166 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 20.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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