3,3-디에톡시프로피오니트릴 - ≥95%(GC) , CAS No.2032-34-0

CAS: 2032-34-0 Cat. No.: D124213 분자식: C₇H₁₃NO₂ 분자량: 143.18 Beilstein Registry Number: 1754493 EC 번호: 217-988-6

등급 & 순도 ≥95%(GC)

Synonyms

3,3-Diethoxypropionitrile, 95% | cyanacetaldehyde diethylacetal | cyan-acetaldehyde diethyl-acetal | EINECS 217-988-6 | J-013214 | MFCD00040558 | Malonaldehydenitrile diethyl acetal | Acetaldehyde, cyano-, diethyl acetal | 3,3-Diethoxypropiononitrile | SC

Storage

Room temperature

Shipped In

보통

개요

3,3-디에톡시프로피오니트릴은 시안화 유도체입니다. 역류하는 부탄올 부톡사이드 나트륨에서 요소와 반응하여 4-아미노-2(1H)-피리미디논과 시토신을 생성합니다. 물리적 특성(밀도, 굴절률, 끓는점 및 녹는점)이 보고되었습니다.

사양

동의어

3,3-Diethoxypropionitrile, 95% | cyanacetaldehyde diethylacetal | cyan-acetaldehyde diethyl-acetal | EINECS 217-988-6 | J-013214 | MFCD00040558 | Malonaldehydenitrile diethyl acetal | Acetaldehyde, cyano-, diethyl acetal | 3,3-Diethoxypropiononitrile | SC

사양 및 순도

≥95%(GC)

보관 조건

Room temperature

배송

보통

순수함

≥95%(GC)

이름과 식별자

Pubchem Sid

504754872

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754872

정식 스마일

CCOC(CC#N)OCC

IUPAC Name

3,3-diethoxypropanenitrile

InChIKey

WBOXEOCWOCJQNK-UHFFFAOYSA-N

INCHI

1S/C7H13NO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-5H2,1-2H3

이성체 SMILES

CCOC(CC#N)OCC

WGK 독일

2

분자량

143.18

Beilstein

1754493

Reaxy-Rn

1754493

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1754493&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetals
• Alternative Parents: Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrile - Carbonitrile - Acetal - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as acetals. These are compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' 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

• 굴절률: 1.415
• 발화점(°F): 183.2 °F
• 발화점(°C): 84°C
• 끓는점(°C): 99°C/14mmHg
• 분자량: 143.180 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 143.095 Da
• Monoisotopic Mass: 143.095 Da
• Topological Polar Surface Area: 42.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 110.000
• 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