1H-indol-7-ylmethanol - ≥97% , CAS No.1074-87-9

CAS: 1074-87-9 Cat. No.: H171908 Formule: C₉H₉NO Poids moléculaire: 147.177 Numéro CE: 992-462-3

QUALITÉ & PURETÉ ≥97%

Synonyms

DTXSID60378474 | AKOS006228640 | UBJBKRMNBMMMHZ-UHFFFAOYSA-N | indole-7-methanol, AldrichCPR | Indole-7-methanol | 7-(Hydroxymethyl)indole | AB11370 | FT-0633302 | 7-Hydroxymethylindole | 7-(HYDROXYMETHYL)-1H-INDOLE | (1H-indol-7-yl)methanol | (1H-indol-7

Storage

Store at 2-8°C

Shipped In

Wet ice

Spécifications

Synonymes

DTXSID60378474 | AKOS006228640 | UBJBKRMNBMMMHZ-UHFFFAOYSA-N | indole-7-methanol, AldrichCPR | Indole-7-methanol | 7-(Hydroxymethyl)indole | AB11370 | FT-0633302 | 7-Hydroxymethylindole | 7-(HYDROXYMETHYL)-1H-INDOLE | (1H-indol-7-yl)methanol | (1H-indol-7

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504761824

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761824

Sourires canoniques

C1=CC2=C(C(=C1)CO)NC=C2

IUPAC Name

1H-indol-7-ylmethanol

InChIKey

UBJBKRMNBMMMHZ-UHFFFAOYSA-N

INCHI

1S/C9H9NO/c11-6-8-3-1-2-7-4-5-10-9(7)8/h1-5,10-11H,6H2

Isomères SMILES

C1=CC2=C(C(=C1)CO)NC=C2

Poids moléculaire

147.177

Reaxy-Rn

1526030

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1526030&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Benzenoids Pyrroles Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 147.170 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 147.068 Da
• Monoisotopic Mass: 147.068 Da
• Topological Polar Surface Area: 36.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• 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