1,12-Diaminododecane - ≥98% , CAS No.2783-17-7

CAS: 2783-17-7 Cat. No.: D106441 분자식: NH₂(CH₂)₁₂NH₂ 분자량: 200.36 Beilstein Registry Number: 1742765 EC 번호: 220-489-6

GRADE & PURITY ≥98%

Synonyms

Dodecyldiamine | Q27121625 | 1,12'-Dodecylenediamine | 1,12-Dodecylenediamine | DTXSID2044636 | J3LM80W9NT | CHEBI:49385 | AKOS015894529 | BDBM50147574 | EINECS 220-489-6 | NSC 55050 | 1,12 diaminododecane | dodecamethylene diamine | Dodecylenediamine | 1

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

개요

Feedstock for polymer synthesis. Source of twelve carbon chain for medicinal drugs.

Specifications

동의어

Dodecyldiamine | Q27121625 | 1,12'-Dodecylenediamine | 1,12-Dodecylenediamine | DTXSID2044636 | J3LM80W9NT | CHEBI:49385 | AKOS015894529 | BDBM50147574 | EINECS 220-489-6 | NSC 55050 | 1,12 diaminododecane | dodecamethylene diamine | Dodecylenediamine | 1

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 508806925
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508806925
• 정식 스마일: C(CCCCCCN)CCCCCN
• IUPAC Name: dodecane-1,12-diamine
• InChIKey: QFTYSVGGYOXFRQ-UHFFFAOYSA-N
• INCHI: 1S/C12H28N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-14H2
• 이성체 SMILES: C(CCCCCCN)CCCCCN
• WGK 독일: 1
• RTECS: JR2200000
• UN 번호: 3259
• 분자량: 200.36
• Beilstein: 1742765
• Reaxy-Rn: 1742765
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1742765&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)

DNM1 Tbio Dynamin-1 (215 Activities)

Discover Target: DNM1

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

관련 대상(비인간)

Mycobacterium tuberculosis (203094 Activities)

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Nakaseomyces glabratus (9108 Activities)

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

J774 (3120 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in ethanol.
• 감도: Heat & Air sensitive
• 발화점(°F): 311 °F
• 발화점(°C): 155 °C
• 끓는점(°C): 145°C/2mmHg
• 녹는점(°C): 68-70°C
• 분자량: 200.360 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 200.225 Da
• Monoisotopic Mass: 200.225 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 82.300
• 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