N1,N1-Dimethyl-1-phenyl-1,2-ethanediamine - ≥97% , CAS No.6342-21-8

CAS: 6342-21-8 Cat. No.: A185708 Molecular Weight: 164.3 EC Number: 679-252-4

GRADE & PURITY ≥97%

Synonyms

HMS1788J21 | MFCD01631934 | N~1~,N~1~-dimethyl-1-phenylethane-1,2-diamine | Q27144236 | AKOS000200930 | DTXSID70287164 | TOLFREE | FT-0690834 | (2-Amino-1-phenylethyl)dimethylamine, AldrichCPR | STK801423 | L-Tyrosine, beta,3-dihydroxy-, (beta-R)- | N*1*,

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

HMS1788J21 | MFCD01631934 | N~1~, N~1~-dimethyl-1-phenylethane-1, 2-diamine | Q27144236 | AKOS000200930 | DTXSID70287164 | TOLFREE | FT-0690834 | (2-Amino-1-phenylethyl)dimethylamine, AldrichCPR | STK801423 | L-Tyrosine, beta, 3-dihydroxy-, (beta-R)- | N*1*,

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CN(C)C(CN)C1=CC=CC=C1
• IUPAC Name: N,N-dimethyl-1-phenylethane-1,2-diamine
• InChIKey: NFSAPTWLWWYADB-UHFFFAOYSA-N
• INCHI: 1S/C10H16N2/c1-12(2)10(8-11)9-6-4-3-5-7-9/h3-7,10H,8,11H2,1-2H3
• Isomeric SMILES: CN(C)C(CN)C1=CC=CC=C1
• Molecular Weight: 164.3
• Reaxy-Rn: 2086025
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2086025&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Benzene and substituted derivatives Trialkylamines Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aralkylamine - Benzenoid - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
• 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

• Molecular Weight: 164.250 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.131 Da
• Monoisotopic Mass: 164.131 Da
• Topological Polar Surface Area: 29.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 117.000
• 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: 1

References

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2. Tingshuai Li, Qiru Chen, Jin Yu, Jiaojiao Xia, Yuanfang Li, Ke Xu, Yonglan Luo, Qian Liu, Haoran Guo.  (2021)  YF3: a nanoflower-like catalyst for efficient nitrogen fixation to ammonia under ambient conditions.  Catalysis Science & Technology,  11  (20): (6750-6754).  [PMID:] [10.1039/D1CY01235E]

3. Xianghong Li, Lei Li, Xiang Ren, Dan Wu, Yong Zhang, Hongmin Ma, Xu Sun, Bin Du, Qin Wei, Baihai Li.  (2018)  Enabling Electrocatalytic N2 Reduction to NH3 by Y2O3 Nanosheet under Ambient Conditions.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.8b04045]

4. Chenyang Zhang, Chenghui Qian, Guang Yang, Yiying Zhu, Binbin Kang, Xiaohong Chen, Si Chen.  (2025)  Microarc Oxidation Coatings Doped with a Low Proportion of Yttrium Enhance the Osseointegration of Titanium Implants through the BMP/Smad Pathway.  ACS Biomaterials Science & Engineering,      [PMID:39945293] [10.1021/acsbiomaterials.4c02461]

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