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2-(4-Methoxyphenyl)propan-2-amine , CAS No.30568-44-6

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2-(4-Methoxyphenyl)propan-2-amine - CAS No(30568-44-6) by Aladdin Scientific

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AVAILABLE TO ORDER

Synonyms

AKOS004119759 | BB 0256607 | N11053 | 2-(4-methoxyphenyl)propan-2-amine | 1-(4-METHOXYPHENYL)-1-METHYLETHYLAMINE | MFCD08059933 | TS-01460 | J-506048 | AB43157 | RITIBMKMOLMSPL-UHFFFAOYSA-N | DTXSID60451635 | SCHEMBL3799108 | EN300-262544 | AMY36491 | Ben

Storage

Room temperature

Shipped In

Normal

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

Specifications

Synonyms

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

Canonical Smiles	CC(C)(C1=CC=C(C=C1)OC)N
IUPAC Name	2-(4-methoxyphenyl)propan-2-amine
InChIKey	RITIBMKMOLMSPL-UHFFFAOYSA-N
INCHI	1S/C10H15NO/c1-10(2,11)8-4-6-9(12-3)7-5-8/h4-7H,11H2,1-3H3
Isomeric SMILES	CC(C)(C1=CC=C(C=C1)OC)N
Molecular Weight	165.23
Reaxy-Rn	2828958
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2828958&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

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📊 Datasheet

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylpropanes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylpropanes
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpropanes
Alternative Parents	Phenoxy compounds Methoxybenzenes Anisoles Aralkylamines Alkyl aryl ethers Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpropane - Anisole - Phenol ether - Methoxybenzene - Phenoxy compound - Aralkylamine - Alkyl aryl ether - Ether - Primary amine - Organic nitrogen compound - Amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	165.230 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	165.115 Da
Monoisotopic Mass	165.115 Da
Topological Polar Surface Area	35.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	137.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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

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