3-(Dimethylamino)propiophenone hydrochloride - CAS 879-72-1
Catalog: |
BB038706 |
Product Name: |
3-(Dimethylamino)propiophenone hydrochloride |
CAS: |
879-72-1 |
Synonyms: |
3-(dimethylamino)-1-phenylpropan-1-one;hydrochloride |
IUPAC Name: | 3-(dimethylamino)-1-phenylpropan-1-one;hydrochloride |
Description: | 3-(Dimethylamino)propiophenone hydrochloride (CAS# 879-72-1) is a Mannich base hydrochloride and is used as a reagent in the synthesis of 9- and 11-substituted 4-azapaullones as selective inhibitors of African trypanosoma. |
Molecular Weight: | 213.70 |
Molecular Formula: | C11H16ClNO |
Canonical SMILES: | CN(C)CCC(=O)C1=CC=CC=C1.Cl |
InChI: | InChI=1S/C11H15NO.ClH/c1-12(2)9-8-11(13)10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H |
InChI Key: | DKNDBIIKSJWQFL-UHFFFAOYSA-N |
Boiling Point: | 267.5 °C at 760 mmHg |
Melting Point: | 152-155 °C |
Purity: | 95 % |
Appearance: | White to off-white powder or crystals |
MDL: | MFCD00012481 |
LogP: | 2.62300 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P310, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
AU-2018291688-A1 | Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections | 20170627 |
CA-3066857-A1 | Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis b infections | 20170627 |
CN-110809574-A | Heteroaryl dihydropyrimidine derivatives and methods for treating hepatitis b infection | 20170627 |
EP-3645516-A1 | Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis b infections | 20170627 |
KR-20200020887-A | Heteroaryldihydropyrimidine Derivatives and Methods of Treating Hepatitis B Infection | 20170627 |
PMID | Publication Date | Title | Journal |
15981301 | 20050701 | Evaluation of antimicrobial activities of several mannich bases and their derivatives | Archiv der Pharmazie |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.0920418 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.0920418 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 20.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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