Geranylamine - ≥90% , CAS No.6246-48-6

CAS: 6246-48-6 Cat. No.: G466888 Fórmula: (CH₃)₂C=CHCH₂CH₂C(CH₃)=CHCH₂NH₂ Peso molecular: 153.26 Número EC: 700-035-8

GRADE & PURITY ≥90%

Synonyms

DTXSID601317828 | trans-3,7-Dimethyl-2,6-octadienyl amine | nerylamine | 3,7-dimethylocta-2,6-dien-1-amine | AFMZGMJNKXOLEM-JXMROGBWSA-N | 3,7-Dimethyl-2,6-octadienylamine | SCHEMBL352059 | 2,6-Octadien-1-amine, 3,7-dimethyl-, (2E)- | STR04671 | ZB1108 |

Storage

Room temperature

Descripción general

Description

Geranylamine is an di-isoprene derivative.Geranylamine may be employed as starting reagent for the total synthesis of a naturally occurring guanidine alkaloid, Nitensidine D. It may be used for the synthesis of 5-alkylamino- and 2,5-bis(alkylamino)-[1,4]-benzoquinone.

Specifications

Sinónimos

DTXSID601317828 | trans-3,7-Dimethyl-2,6-octadienyl amine | nerylamine | 3,7-dimethylocta-2,6-dien-1-amine | AFMZGMJNKXOLEM-JXMROGBWSA-N | 3,7-Dimethyl-2,6-octadienylamine | SCHEMBL352059 | 2,6-Octadien-1-amine, 3,7-dimethyl-, (2E)- | STR04671 | ZB1108 |

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥90%

Nombres e identificadores

Sonrisas canónicas

CC(=CCCC(=CCN)C)C

IUPAC Name

(2E)-3,7-dimethylocta-2,6-dien-1-amine

InChIKey

AFMZGMJNKXOLEM-JXMROGBWSA-N

INCHI

1S/C10H19N/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8,11H2,1-3H3/b10-7+

Isómeros SMILES

CC(=CCC/C(=C/CN)/C)C

WGK Alemania

3

Número ONU

2735

Grupo de embalaje

III

Peso molecular

153.26

Reaxy-Rn

1757197

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1757197&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyclic monoterpenoids
• Alternative Parents: Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic monoterpenoid - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle.
• 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

Propiedades químicas y físicas

• Punto de inflamación (°F): 190.4 °F
• Punto de inflamación (°C): 88 °C
• Punto de ebullición (°C): 105° C (lit.) at 19 mmHg
• Peso molecular: 153.260 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 153.152 Da
• Monoisotopic Mass: 153.152 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 150.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1