Cas no 22946-01-6 (9H-Pyrido[3,4-b]indole-9-ethanol)
![9H-Pyrido[3,4-b]indole-9-ethanol structure](https://ossimg.kuujia.com/scimg/23000/22946-01-6x500.png)
22946-01-6 structure
Product Name:9H-Pyrido[3,4-b]indole-9-ethanol
CAS No:22946-01-6
MF:C13H12N2O
MW:212.247182846069
CID:1415317
PubChem ID:18621289
Update Time:2025-04-20
9H-Pyrido[3,4-b]indole-9-ethanol Chemical and Physical Properties
Names and Identifiers
-
- 9H-Pyrido[3,4-b]indole-9-ethanol
- 2-pyrido[3,4-b]indol-9-ylethanol
- SCHEMBL1120333
- MPLKMQHZGKUTGK-UHFFFAOYSA-N
- DTXSID20595201
- 22946-01-6
- 2-(9H-beta-Carbolin-9-yl)ethan-1-ol
- 2-beta-carbolin-9-yl-ethanol
-
- Inchi： 1S/C13H12N2O/c16-8-7-15-12-4-2-1-3-10(12)11-5-6-14-9-13(11)15/h1-6,9,16H,7-8H2
- InChI Key： MPLKMQHZGKUTGK-UHFFFAOYSA-N
- SMILES： OCCN1C2C=NC=CC=2C2C=CC=CC1=2
Computed Properties
- Exact Mass: 212.09506
- Monoisotopic Mass: 212.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 246
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 38?2
Experimental Properties
- PSA: 38.05
9H-Pyrido[3,4-b]indole-9-ethanol Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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