3,4-디메톡시아닐린 - ≥98%(GC) , CAS No.6315-89-5

CAS: 6315-89-5 Cat. No.: D154338 분자식: C₈H₁₁NO₂ 분자량: 153.18 Beilstein Registry Number: 743399 EC 번호: 228-647-6

GRADE & PURITY ≥98%(GC)

Synonyms

4-Aminoveratrol | 4-Aminoveratrole | 4-amino-veratrole | 3,4-dimethoxy phenylamine | 4-amino-1,2-dimethoxybenzene | AC-907/25014217 | InChI=1/C8H11NO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,9H2,1-2H3 | 3,4-dimethoxylaniline | NSC21033 | NSC-21033 | Z1245635761

Storage

Room temperature

Shipped In

보통

Specifications

동의어

4-Aminoveratrol | 4-Aminoveratrole | 4-amino-veratrole | 3,4-dimethoxy phenylamine | 4-amino-1,2-dimethoxybenzene | AC-907/25014217 | InChI=1/C8H11NO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,9H2,1-2H3 | 3,4-dimethoxylaniline | NSC21033 | NSC-21033 | Z1245635761

사양 및 순도

≥98%(GC)

보관 조건

Room temperature

배송

보통

순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

488182783

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182783

정식 스마일

COC1=C(C=C(C=C1)N)OC

IUPAC Name

3,4-dimethoxyaniline

InChIKey

LGDHZCLREKIGKJ-UHFFFAOYSA-N

INCHI

1S/C8H11NO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,9H2,1-2H3

이성체 SMILES

COC1=C(C=C(C=C1)N)OC

WGK 독일

3

RTECS

BX4550000

분자량

153.18

Beilstein

743399

Reaxy-Rn

743399

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=743399&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Methoxyanilines Aminophenyl ethers Phenoxy compounds Anisoles Alkyl aryl ethers Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-dimethoxybenzene - Dimethoxybenzene - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Ether - Primary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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

화학 및 물리적 특성

• 용해성: Slightly soluble in water
• 발화점(°F): 230 °F
• 발화점(°C): >110°C
• 끓는점(°C): 174-176°C
• 녹는점(°C): 86-90°C
• 분자량: 153.180 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 153.079 Da
• Monoisotopic Mass: 153.079 Da
• Topological Polar Surface Area: 44.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 119.000
• 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, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 6315-89-5, the molecular formula is C8H11NO2, and the molecular weight is 153.18 g/mol. InChIKey LGDHZCLREKIGKJ-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.