3-(Dimethylamino)-1-(3-methoxyphenyl)-2-methyl-1-propanone Hydrochloride - CAS 37951-53-4
Catalog: |
BB023473 |
Product Name: |
3-(Dimethylamino)-1-(3-methoxyphenyl)-2-methyl-1-propanone Hydrochloride |
CAS: |
37951-53-4 |
Synonyms: |
3-(dimethylamino)-1-(3-methoxyphenyl)-2-methyl-1-propanone;hydrochloride; 3-(dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one;hydrochloride |
IUPAC Name: | 3-(dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one;hydrochloride |
Description: | 3-(Dimethylamino)-1-(3-methoxyphenyl)-2-methyl-1-propanone Hydrochloride (CAS# 37951-53-4) is a useful research chemical. |
Molecular Weight: | 257.76 |
Molecular Formula: | C13H20ClNO2 |
Canonical SMILES: | CC(CN(C)C)C(=O)C1=CC(=CC=C1)OC.Cl |
InChI: | InChI=1S/C13H19NO2.ClH/c1-10(9-14(2)3)13(15)11-6-5-7-12(8-11)16-4;/h5-8,10H,9H2,1-4H3;1H |
InChI Key: | ZVXORNFUYLTVBM-UHFFFAOYSA-N |
LogP: | 2.87760 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2013105109-A1 | Process for the preparation of tapentadol | 20111109 |
WO-2012146978-A2 | A novel process for the preparation of tapentadol or a pharmaceutically acceptable salt thereof | 20110428 |
EP-2606030-A1 | Process for the preparation of tapentadol | 20100816 |
EP-2606030-B1 | Process for the preparation of tapentadol | 20100816 |
US-2013137890-A1 | Process for the preparation of tapentadol | 20100816 |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.1182566 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.1182566 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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