2-Ethyl-1-hexylamine - ≥99% , CAS No.104-75-6

CAS: 104-75-6 Cat. No.: E108992 분자식: C₈H₁₉N 분자량: 129.24 Beilstein Registry Number: 1209249 EC 번호: 203-233-8

등급 & 순도 ≥99%

Synonyms

4-04-00-00766 (Beilstein Handbook Reference) | CAS-104-75-6 | EC 203-233-8 | UN 2276 | 2-ethylhexyl amine | beta-Ethylhexylamine | 2-Ethyl hexylamine | E0126 | SCHEMBL28690 | MFCD00008148 | UNII-ER54Q9L9W3 | 2-ethylhexan-1-amine | 3-(aminomethyl)heptane |

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

사양

동의어

4-04-00-00766 (Beilstein Handbook Reference) | CAS-104-75-6 | EC 203-233-8 | UN 2276 | 2-ethylhexyl amine | beta-Ethylhexylamine | 2-Ethyl hexylamine | E0126 | SCHEMBL28690 | MFCD00008148 | UNII-ER54Q9L9W3 | 2-ethylhexan-1-amine | 3-(aminomethyl)heptane |

사양 및 순도

≥99%

애플리케이션

2-Ethyl-1-hexylamine can be used as a reactant to synthesize: Carbonyl compounds through oxidative deamination by using N-tert-butylphenylsulfinimidoyl chloride. Nitriles via Ru-catalyzed oxidation in the presence of molecular oxygen. Alkyl isothiocyanate

보관 조건

Room temperature,Argon charged

배송

FedEx DG Service

순수함

≥99%

이름과 식별자

Pubchem Sid

488180539

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180539

정식 스마일

CCCCC(CC)CN

IUPAC Name

2-ethylhexan-1-amine

InChIKey

LTHNHFOGQMKPOV-UHFFFAOYSA-N

INCHI

1S/C8H19N/c1-3-5-6-8(4-2)7-9/h8H,3-7,9H2,1-2H3

이성체 SMILES

CCCCC(CC)CN

WGK 독일

2

RTECS

MQ5250000

UN 번호

2276

포장 그룹

III

분자량

129.24

Beilstein

1209249

Reaxy-Rn

1209249

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209249&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 분류 Organonitrogen compounds
      • Subclass Amines
        • Level5 Primary amines
          • Level6 Monoalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Primary amines
• Direct Parent: Monoalkylamines
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organopnictogen compound - Hydrocarbon derivative - Primary aliphatic amine - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine 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)

CXCL8 Tchem Interleukin-8 (642 Activities)

Discover Target: CXCL8

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

Lymphoblastoid cell (5959 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Slightly soluble in water, soluble in ethanol and acetone.
• 감도: Air Sensitive
• 굴절률: 1.431
• 발화점(°F): 122 °F
• 발화점(°C): 50℃
• 끓는점(°C): 169°C
• 녹는점(°C): -76°C
• 분자량: 129.240 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 129.152 Da
• Monoisotopic Mass: 129.152 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 52.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1