4-ethoxybenzene-1,2-diamine - ≥97% , CAS No.1197-37-1

CAS: 1197-37-1 Cat. No.: E478624 분자식: C₈H₁₂N₂O 분자량: 152.197 EC 번호: 214-825-0

GRADE & PURITY ≥97%

Synonyms

1,2-Diamino-4-ethoxybenzene | AKOS000107978 | 1,2-Benzenediamine, 4-ethoxy- | Q27276295 | 4-Ethoxy-benzene-1,2-diamine | 4-Ethoxybenzene-1,2-diamine | HSDB 6233 | 4-ETHOXY-O-PHENYLENEDIAMINE | A804347 | EINECS 214-825-0 | 4-ETHOXY-1,2-BENZENEDIAMINE | DTX

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

1,2-Diamino-4-ethoxybenzene | AKOS000107978 | 1,2-Benzenediamine, 4-ethoxy- | Q27276295 | 4-Ethoxy-benzene-1,2-diamine | 4-Ethoxybenzene-1,2-diamine | HSDB 6233 | 4-ETHOXY-O-PHENYLENEDIAMINE | A804347 | EINECS 214-825-0 | 4-ETHOXY-1,2-BENZENEDIAMINE | DTX

사양 및 순도

≥97%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥97%

이름과 식별자

Pubchem Sid

504752571

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752571

정식 스마일

CCOC1=CC(=C(C=C1)N)N

IUPAC Name

4-ethoxybenzene-1,2-diamine

InChIKey

KLLREYQZEOLXHA-UHFFFAOYSA-N

INCHI

1S/C8H12N2O/c1-2-11-6-3-4-7(9)8(10)5-6/h3-5H,2,9-10H2,1H3

이성체 SMILES

CCOC1=CC(=C(C=C1)N)N

분자량

152.197

Reaxy-Rn

2803080

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2803080&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenol ethers
      • Subclass Aminophenyl ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenol ethers
• Subclass: Aminophenyl ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminophenyl ethers
• Alternative Parents: Phenoxy compounds Aniline and substituted anilines Alkyl aryl ethers Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenyl ether - Phenoxy compound - Aniline or substituted anilines - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring.
• 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

• 끓는점(°C): 295 °C
• 녹는점(°C): 71.5 °C
• 분자량: 152.190 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 152.095 Da
• Monoisotopic Mass: 152.095 Da
• Topological Polar Surface Area: 61.300 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