2,6-Dimethylaniline - ≥99% , CAS No.87-62-7

CAS: 87-62-7 Cat. No.: D105633 분자식: C₈H₁₁N 분자량: 121.18 Beilstein Registry Number: 121107 EC 번호: 201-758-7

등급 & 순도 ≥99%

Synonyms

EC 201-758-7 | 1092805-08-7 | 2,6-Dimethylaniline | 2,6-Dimethyl-aniline | CAS-87-62-7 | (2,6-dimethylphenyl)amine | (2,6-dimethyl-phenyl)-amine | D0669 | 2,6-DMA | 2-Amino-m-xylene | EINECS 201-758-7 | AKOS000120115 | Aniline, 2,6-dimethyl- | Aniline,6-d

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

사양

동의어

EC 201-758-7 | 1092805-08-7 | 2,6-Dimethylaniline | 2,6-Dimethyl-aniline | CAS-87-62-7 | (2,6-dimethylphenyl)amine | (2,6-dimethyl-phenyl)-amine | D0669 | 2,6-DMA | 2-Amino-m-xylene | EINECS 201-758-7 | AKOS000120115 | Aniline, 2,6-dimethyl- | Aniline,6-d

사양 및 순도

≥99%

보관 조건

Room temperature,Argon charged

배송

FedEx DG Service

순수함

≥99%

이름과 식별자

Pubchem Sid

488180194

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180194

정식 스마일

CC1=C(C(=CC=C1)C)N

IUPAC Name

2,6-dimethylaniline

InChIKey

UFFBMTHBGFGIHF-UHFFFAOYSA-N

INCHI

1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3

이성체 SMILES

CC1=C(C(=CC=C1)C)N

WGK 독일

2

RTECS

ZE9275000

UN 번호

1711

포장 그룹

II

분자량

121.18

Beilstein

121107

Reaxy-Rn

636332

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636332&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Xylenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: m-Xylenes
• Alternative Parents: Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-xylene - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as m-xylenes. These are aromatic compounds that contain a m-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 3-positions.
• External Descriptors: primary arylamine - dimethylaniline

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

관련 대상(비인간)

Salmonella typhimurium (15756 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Slightly miscible with water. Miscible with ethanol and diethyl ether.
• 감도: Light & Air Sensitive
• 동결점(°C): 10 °C
• 굴절률: 1.56
• 발화점(°F): 195.8 °F
• 발화점(°C): 91 °C
• 끓는점(°C): 214°C
• 녹는점(°C): 10-12°C
• 분자량: 121.180 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 121.089 Da
• Monoisotopic Mass: 121.089 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 80.600
• 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