α-Ethylbenzylamine - ≥97% , CAS No.2941-20-0

CAS: 2941-20-0 Cat. No.: E334013 Formula: C₉H₁₃N Molecular Weight: 135.21 EC Number: 608-356-4

GRADE & PURITY ≥97%

Synonyms

Z1262252904 | CHEBI:153571 | alpha-Ethylbenzylamine | SCHEMBL43945 | 1-phenylpropan-1-amine | AKOS017258862 | FT-0605096 | alpha -ethylbenzylamine | DTXSID30859841 | STR04886 | 4-Chloro-2-(Z)-Methoxycarbonylmethoxyimino-3-oxobutyricacid | alpha-Phenylprop

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Z1262252904 | CHEBI:153571 | alpha-Ethylbenzylamine | SCHEMBL43945 | 1-phenylpropan-1-amine | AKOS017258862 | FT-0605096 | alpha -ethylbenzylamine | DTXSID30859841 | STR04886 | 4-Chloro-2-(Z)-Methoxycarbonylmethoxyimino-3-oxobutyricacid | alpha-Phenylprop

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Pubchem Sid

504752860

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752860

Canonical Smiles

CCC(C1=CC=CC=C1)N

IUPAC Name

1-phenylpropan-1-amine

InChIKey

AQFLVLHRZFLDDV-UHFFFAOYSA-N

INCHI

1S/C9H13N/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9H,2,10H2,1H3

Isomeric SMILES

CCC(C1=CC=CC=C1)N

UN Number

2735

Packing Group

II

Molecular Weight

135.21

Reaxy-Rn

2412015

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2412015&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylpropylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylpropylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropylamines
• Alternative Parents: Phenylpropanes Aralkylamines Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropylamine - Phenylpropane - Aralkylamine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Refractive Index: n20D1.519 (lit.)
• Flash Point(°C): 77℃
• Boil Point(°C): 204° C (lit.)
• Molecular Weight: 135.210 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 135.105 Da
• Monoisotopic Mass: 135.105 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 84.700
• 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: 1

Frequently Asked Questions

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2941-20-0, the molecular formula is C9H13N, and the molecular weight is 135.21 g/mol. InChIKey AQFLVLHRZFLDDV-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.