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(2S,3R)-(+)-4-Dimethylamino-1,2-diphenyl-3-methyl-2-butanol, (2S,3R)-(+)-4-Dimethylamino-3-methyl-1,2-diphenyl-2-butanol, Dextrocarbinol base , CAS No.38345-66-3
Basic Description
Synonyms
(2S,3R)-(+)-4-Dimethylamino-1,2-diphenyl-3-methyl-2-butanol | CHIRALD [MI] | Mosher's reagent | AKOS015894842 | (+)-oxyphene | [S-(R*,S*)]-[2-(Dimethylamino)-1-methylethyl]-phenylphenethyl alcohol | 5917USS6PV | UNII-5917USS6PV | INTCGJHAECYOBW-APWZRJJASA
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Stilbenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Stilbenes
Alternative Parents
Phenylbutylamines Phenylpropanes Aralkylamines Tertiary alcohols 1,3-aminoalcohols Trialkylamines Organopnictogen compounds Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Stilbene - Phenylbutylamine - Phenylpropane - Aralkylamine - Monocyclic benzene moiety - Benzenoid - 1,3-aminoalcohol - Tertiary alcohol - Tertiary amine - Tertiary aliphatic amine - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Aromatic alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol
INCHI
InChI=1S/C19H25NO/c1-16(15-20(2)3)19(21,18-12-8-5-9-13-18)14-17-10-6-4-7-11-17/h4-13,16,21H,14-15H2,1-3H3/t16-,19+/m1/s1
InChIKey
INTCGJHAECYOBW-APWZRJJASA-N
Smiles
CC(CN(C)C)C(CC1=CC=CC=C1)(C2=CC=CC=C2)O
Isomeric SMILES
C[C@H](CN(C)C)[C@@](CC1=CC=CC=C1)(C2=CC=CC=C2)O
WGK Germany
3
Molecular Weight
283.41
Reaxy-Rn
2813235
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2813235&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
235.4 °F
Flash Point(°C)
113 °C
Molecular Weight
283.400 g/mol
XLogP3
3.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
6
Exact Mass
283.194 Da
Monoisotopic Mass
283.194 Da
Topological Polar Surface Area
23.500 Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
292.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
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2 Citations