Cas no 41979-55-9 ( )
structure
Product Name:
CAS No:41979-55-9
MF:C12H14N2O
MW:202.252362728119
CID:927613
PubChem ID:295651
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- N,N,1-trimethylindole-2-carboxamide
- 1-Methyl-indol-2-carbonsaeure-dimethylamid
- 1-methyl-indole-2-carboxylic acid dimethylamide
- N,N,N-trimethyl-1H-indol-2-carboxamide
- N,N-dimethyl-1-methylindole-2-carboxamide
- NSC 165232
- 41979-55-9
- DTXSID80304275
- NSC165232
- AKOS016908067
- SCHEMBL8568554
- Z737228682
- NSC-165232
-
-
- Inchi： 1S/C12H14N2O/c1-13(2)12(15)11-8-9-6-4-5-7-10(9)14(11)3/h4-8H,1-3H3
- InChI Key： FFPMDOBINLVYET-UHFFFAOYSA-N
- SMILES： O=C(C1=CC2C=CC=CC=2N1C)N(C)C
Computed Properties
- Exact Mass: 202.11100
- Monoisotopic Mass: 202.111
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 252
- 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: 1.9
- Topological Polar Surface Area: 25.2?2
Experimental Properties
- Density: 1.09±0.1 g/cm3 (20 oC 760 Torr),
- Boiling Point: 381.7°Cat760mmHg
- Flash Point: 381.7°Cat760mmHg
- Refractive Index: 1.572
- Solubility: Slightly soluble (13 g/l) (25 o C),
- PSA: 25.24000
- LogP: 1.88010
Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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