2-Methyl-1-propanol - Anhydrous Grade, ≥99.5% , CAS No.78-83-1

CAS: 78-83-1 Cat. No.: M103315 Fórmula: C₄H₁₀O Peso molecular: 74.12 Beilstein Registry Number: 1730878 Número CE: 201-148-0

GRAU & PUREZA Anhydrous Grade, ≥99.5%

Synonyms

1-Propanol, 2-methyl- | iso-BuOH | 2-Methyl-1-propanol, anhydrous, 99.5% | BIDD:ER0628 | 2-Methyl-1-propanol 10 microg/mL in Methanol | EC 201-148-0 | 2-methyl-l-propanol | 2-Methyl-1-propanol | 2-Methyl-1-propanol, ACS reagent, >=99.0% | Q151797 | 2-Meth

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Especificações

Sinónimos

1-Propanol, 2-methyl- | iso-BuOH | 2-Methyl-1-propanol, anhydrous, 99.5% | BIDD:ER0628 | 2-Methyl-1-propanol 10 microg/mL in Methanol | EC 201-148-0 | 2-methyl-l-propanol | 2-Methyl-1-propanol | 2-Methyl-1-propanol, ACS reagent, >=99.0% | Q151797 | 2-Meth

Especificações e pureza

Anhydrous Grade, ≥99.5%

Condições de armazenamento de armazenamento

Room temperature,Desiccated

Enviado em

FedEx DG Service

Grau

Anhydrous Grade

Pureza

≥99.5%

Nomes e identificadores

Pubchem Sid

508813407

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508813407

Sorrisos canónicos

CC(C)CO

IUPAC Name

2-methylpropan-1-ol

InChIKey

ZXEKIIBDNHEJCQ-UHFFFAOYSA-N

INCHI

1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3

SMILES isoméricas

CC(C)CO

WGK Alemanha

1

RTECS

NP9625000

Número UN

1212

Grupo de embalagem

III

Peso molecular

74.12

Beilstein

1730878

Reaxy-Rn

1730878

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730878&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
• 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

Alvos associados (humanos)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

Alvos associados (não humanos)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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

Tetrahymena pyriformis (68 Activities)

Explore this target

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

Oryctolagus cuniculus (11301 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive.
• Índice de refração: 1.396
• Ponto de inflamação (°C): 28℃
• Ponto de ebulição (°C): 108°C
• Ponto de fusão (°C): -108°C
• Peso molecular: 74.120 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 74.0732 Da
• Monoisotopic Mass: 74.0732 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 17.600
• 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