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2-Ethylamino-1-(4-methoxyphenyl)propane Hydrochloride - >98.0%(T), high purity , CAS No.93963-24-7
Basic Description
Synonyms
FT-0651602 | DTXSID90916868 | EINECS 300-765-3 | N-Ethyl-1-(4-methoxyphenyl)propan-2-amine--hydrogen chloride (1/1) | Phenethylamine, N-ethyl-p-methoxy-alpha-methyl-, hydrochloride | STR05384 | N-ethyl-1-(4-methoxyphenyl)propan-2-amine hydrochloride | PD0
Specifications & Purity
≥98%(T)
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Amphetamines and derivatives
Alternative Parents
Phenylpropanes Phenoxy compounds Methoxybenzenes Anisoles Aralkylamines Alkyl aryl ethers Dialkylamines Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Amphetamine or derivatives - Phenylpropane - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Aralkylamine - Alkyl aryl ether - Secondary amine - Ether - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
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
Pubchem Sid
488188594
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488188594
IUPAC Name
N-ethyl-1-(4-methoxyphenyl)propan-2-amine;hydrochloride
INCHI
InChI=1S/C12H19NO.ClH/c1-4-13-10(2)9-11-5-7-12(14-3)8-6-11;/h5-8,10,13H,4,9H2,1-3H3;1H
InChIKey
KWQLOEWGKCQLPR-UHFFFAOYSA-N
Smiles
CCNC(C)CC1=CC=C(C=C1)OC.Cl
Isomeric SMILES
CCNC(C)CC1=CC=C(C=C1)OC.Cl
Molecular Weight
229.75
Reaxy-Rn
3709964
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3709964&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
162 °C
Molecular Weight
229.740 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
5
Exact Mass
229.123 Da
Monoisotopic Mass
229.123 Da
Topological Polar Surface Area
21.300 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
141.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
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H2406358