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9-CARBAZOLEMETHANOL , CAS No.2409-36-1
Basic Description
Synonyms
carbazol-9-yl-methanol | 2409-36-1 | Carbazole-9-methanol | (9H-carbazol-9-yl)methanol | 9H-Carbazole-9-methanol | carbazol-9-ylmethanol | N-(Hydroxymethyl)carbazole | N-Hydroxymethylcarbazole | 3FA5LMV3IK | 9H-Carbazol-9-ylmethanol | MLS000737682 | NSC-108694 | EINECS 219-313-0
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Carbazoles
Intermediate Tree Nodes
Not available
Direct Parent
Carbazoles
Alternative Parents
N-alkylindoles Indoles Substituted pyrroles Benzenoids Heteroaromatic compounds Azacyclic compounds Alkanolamines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Carbazole - N-alkylindole - Indole - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Alkanolamine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
carbazol-9-ylmethanol
INCHI
InChI=1S/C13H11NO/c15-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,15H,9H2
InChIKey
LRQYFGXOJXXKGQ-UHFFFAOYSA-N
Smiles
C1=CC=C2C(=C1)C3=CC=CC=C3N2CO
Isomeric SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2CO
Molecular Weight
197.239
Reaxy-Rn
158883
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=158883&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
197.230 g/mol
XLogP3
2.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
197.084 Da
Monoisotopic Mass
197.084 Da
Topological Polar Surface Area
25.200 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
209.000
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
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