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

CAS: 2783-17-7 Cat. No.: D106441 Formule: NH₂(CH₂)₁₂NH₂ Poids moléculaire: 200.36 Beilstein Registry Number: 1742765 Numéro CE: 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

Stocker à 2-8°C, chargé d'argon

Shipped In

Glace humide

Vue d’ensemble

Matière première pour la synthèse des polymères. Source de douze chaînes de carbone pour les médicaments.

Specifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Stocker à 2-8°C, chargé d'argon

Expédié en

Glace humide

Pureté

≥98%

Noms et identifiants

Pubchem Sid

508806925

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508806925

Sourires canoniques

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

Isomères SMILES

C(CCCCCCN)CCCCCN

WGK Allemagne

1

RTECS

JR2200000

Numéro ONU

3259

Poids moléculaire

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
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Primary amines
          • Level6 Monoalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: 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
• Description: 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

Cibles associées (humaines)

DNM1 Tbio Dynamin-1 (215 Activities)

Discover Target: DNM1

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

Cibles associées (non humaines)

Mycobacterium tuberculosis (203094 Activities)

Explore this target

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

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in ethanol.
• Sensibilité: Heat & Air sensitive
• Point d'éclair (°F): 311 °F
• Point d'éclair (°C): 155 °C
• Point d'ébullition (°C): 145°C/2mmHg
• Point de fusion (°C): 68-70°C
• Poids moléculaire: 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