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

CAS: 4856-97-7 Cat. No.: B101392 Summenformel: C₈H₈N₂O Molekulargewicht: 148.16 Beilstein Registry Number: 23(5)11,325 EG-Nummer: 225-451-2

QUALITÄT & REINHEIT ≥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

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488185595

Pubchem Sid Url

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

Kanonisches Lächeln

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)

Isomere SMILES

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

WGK Deutschland

3

Molekulargewicht

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
    • Klasse Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (nicht menschlich)

Mmp9 Matrix metalloproteinase 9 (38 Activities)

Discover Target: Mmp9

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Schmelzpunkt (°C): 171-175°C
• Molekulargewicht: 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

Häufig gestellte Fragen

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.