1,8-Diaminooctane - ≥98% , CAS No.373-44-4

CAS: 373-44-4 Cat. No.: D106924 분자식: C₈H₂₀N₂ 분자량: 144.26 Beilstein Registry Number: 1735426 EC 번호: 206-764-3

등급 & 순도 ≥98%

Synonyms

SCHEMBL35706 | 1-8-diaminooctane | Octamethylenediamine | BBL037236 | 1,8-DIAMINOOCTANE; OCTAMETHYLENEDIAMINE; 1,8-OCTANEDIAMINE | 1,8-Octamethylenediamine | AS-14372 | octane-1,8-diamine | 27ADC60C-8497-49F5-9025-5A855BA566E6 | EINECS 206-764-3 | STL4956

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

개요

1,8-Diaminooctane is generally used as crosslinker or spacer during the synthesis of variety of molecular cages, macrocycles and microporous materials.

사양

동의어

SCHEMBL35706 | 1-8-diaminooctane | Octamethylenediamine | BBL037236 | 1,8-DIAMINOOCTANE; OCTAMETHYLENEDIAMINE; 1,8-OCTANEDIAMINE | 1,8-Octamethylenediamine | AS-14372 | octane-1,8-diamine | 27ADC60C-8497-49F5-9025-5A855BA566E6 | EINECS 206-764-3 | STL4956

사양 및 순도

≥98%

보관 조건

Room temperature,Argon charged,Desiccated

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488182869

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182869

정식 스마일

C(CCCCN)CCCN

IUPAC Name

octane-1,8-diamine

InChIKey

PWGJDPKCLMLPJW-UHFFFAOYSA-N

INCHI

1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2

이성체 SMILES

C(CCCCN)CCCN

WGK 독일

2

RTECS

RG8841500

UN 번호

3259

분자량

144.26

Beilstein

1735426

Reaxy-Rn

1735426

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1735426&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: a small molecule

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)

PAOX Tchem Polyamine oxidase (84 Activities)

Discover Target: PAOX

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

DU-145 (51482 Activities)

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K562 (73714 Activities)

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MCF7 (126967 Activities)

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U-251 (51189 Activities)

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관련 대상(비인간)

Mycobacterium tuberculosis (203094 Activities)

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CHO (4503 Activities)

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L1210 (27553 Activities)

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J774 (3120 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water (575 mg/ml at 20° C).
• 감도: Light & Moisture &Air sensitive.
• 발화점(°F): 222.8 °F
• 발화점(°C): 106℃
• 끓는점(°C): 225-226°C
• 녹는점(°C): 50-54°C
• 분자량: 144.260 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 144.163 Da
• Monoisotopic Mass: 144.163 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 47.200
• 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

How should this product be stored?

Store at room temperature, desiccated, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.