2-Benzimidazolemethanol - ≥97% , CAS No.4856-97-7

CAS: 4856-97-7 Cat. No.: B101392 Formula: C₈H₈N₂O Peso molecolare: 148.16 Beilstein Registry Number: 23(5)11,325 Numero EC: 225-451-2

QUALITÀ & PUREZZA ≥97%

Synonyms

BB 0219466 | F1011-0474 | FT-0608821 | Piperidine, 4-(1-pyrrolidinyl)- | 2-Benzimidazolemethanol | Q27467558 | Q-101100 | AM20050322 | 2-Hydroxymethyl-Benzoimidazole | AE-641/00568014 | m-Methoxyphenylethanol | AB01097985-03 | 9SZ34H8DY7 | J-800153 | NCGC

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

BB 0219466 | F1011-0474 | FT-0608821 | Piperidine, 4-(1-pyrrolidinyl)- | 2-Benzimidazolemethanol | Q27467558 | Q-101100 | AM20050322 | 2-Hydroxymethyl-Benzoimidazole | AE-641/00568014 | m-Methoxyphenylethanol | AB01097985-03 | 9SZ34H8DY7 | J-800153 | NCGC

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488185595

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185595

Sorrisi canonici

C1=CC=C2C(=C1)NC(=N2)CO

IUPAC Name

1H-benzimidazol-2-ylmethanol

InChIKey

IAJLTMBBAVVMQO-UHFFFAOYSA-N

INCHI

1S/C8H8N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4,11H,5H2,(H,9,10)

Isomeri SMILES

C1=CC=C2C(=C1)NC(=N2)CO

WGK Germania

3

Peso molecolare

148.16

Beilstein

23(5)11,325

Reaxy-Rn

121263

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=121263&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Benzenoids Imidazoles Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Azacycle - Alcohol - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• 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

Obiettivi associati (non umani)

Mmp9 Matrix metalloproteinase 9 (38 Activities)

Discover Target: Mmp9

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in Methanol
• Punto di fusione (°C): 171-175°C
• Peso molecolare: 148.160 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 148.064 Da
• Monoisotopic Mass: 148.064 Da
• Topological Polar Surface Area: 48.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 140.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4856-97-7, the molecular formula is C8H8N2O, and the molecular weight is 148.16 g/mol. InChIKey IAJLTMBBAVVMQO-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.