3-Methyldiphenylamine - ≥98% , CAS No.1205-64-7

CAS: 1205-64-7 Cat. No.: M102489 분자식: CH₃C₆H₄NHC₆H₅ 분자량: 183.25 Beilstein Registry Number: 12857 EC 번호: 214-885-8

GRADE & PURITY ≥98%

Synonyms

METHYL4-(CHLOROSULFONYL)-2,5-DIMETHYL-3-FUROATE | STR05109 | N-Phenyl-m-toluidine;3-Methyl-N-phenylaniline;Benzenamine, 3-methyl-N-phenyl- | A804536 | phenyl-m-tolylamine | I10224 | 3-methyl phenylphenylamine | 3-methylphenylaniline | 3-methyl diphenylami

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

METHYL4-(CHLOROSULFONYL)-2,5-DIMETHYL-3-FUROATE | STR05109 | N-Phenyl-m-toluidine;3-Methyl-N-phenylaniline;Benzenamine, 3-methyl-N-phenyl- | A804536 | phenyl-m-tolylamine | I10224 | 3-methyl phenylphenylamine | 3-methylphenylaniline | 3-methyl diphenylami

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488182006

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182006

정식 스마일

CC1=CC(=CC=C1)NC2=CC=CC=C2

IUPAC Name

3-methyl-N-phenylaniline

InChIKey

TWPMMLHBHPYSMT-UHFFFAOYSA-N

INCHI

1S/C13H13N/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10,14H,1H3

이성체 SMILES

CC1=CC(=CC=C1)NC2=CC=CC=C2

WGK 독일

3

분자량

183.25

Beilstein

12857

Reaxy-Rn

2208461

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208461&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminotoluenes
• Alternative Parents: Aniline and substituted anilines Secondary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminotoluene - Aniline or substituted anilines - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino 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

관련 대상(인간)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

관련 대상(비인간)

Npsr1 Neuropeptide S receptor (260 Activities)

Discover Target: Npsr1

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

FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

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

작용 메커니즘

화학 및 물리적 특성

• 감도: Air Sensitive
• 동결점(°C): 27 °C
• 굴절률: 1.635
• 발화점(°F): 235.4 °F
• 발화점(°C): 113 °C
• 끓는점(°C): 315°C
• 녹는점(°C): 27 °C
• 분자량: 183.250 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 183.105 Da
• Monoisotopic Mass: 183.105 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 161.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 1205-64-7, the molecular formula is C13H13N, and the molecular weight is 183.25 g/mol. InChIKey TWPMMLHBHPYSMT-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.