Cas no 127040-44-2 (1,2-Ethanediamine,N1,N1-diethyl-N2-11H-pyrido[3,2-a]carbazol-3-yl-, hydrochloride (1:2))
127040-44-2 structure
Product Name:1,2-Ethanediamine,N1,N1-diethyl-N2-11H-pyrido[3,2-a]carbazol-3-yl-, hydrochloride (1:2)
CAS No:127040-44-2
MF:C21H26Cl2N4
MW:405.363942623138
CID:216457
PubChem ID:3080048
Update Time:2025-04-19
1,2-Ethanediamine,N1,N1-diethyl-N2-11H-pyrido[3,2-a]carbazol-3-yl-, hydrochloride (1:2) Chemical and Physical Properties
Names and Identifiers
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- 1,2-Ethanediamine,N1,N1-diethyl-N2-11H-pyrido[3,2-a]carbazol-3-yl-, hydrochloride (1:2)
- N',N'-diethyl-N-(11H-pyrido[3,2-a]carbazol-3-yl)ethane-1,2-diamine,dihydrochloride
- DTXSID50155377
- 3-(beta-Diethylaminoethylamino)-11H-pyrido(3,2-a)carbazole dihydrochloride
- 1,2-Ethanediamine, N,N-diethyl-N'-11H-pyrido(3,2-a)carbazol-3-yl-, dihydrochloride
- 127040-44-2
- N,N-Diethyl-N'-11H-pyrido(3,2-a)carbazol-3-yl-1,2-ethanediamine dihydrochloride
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- Inchi: 1S/C21H24N4.2ClH/c1-3-25(4-2)14-13-22-20-12-10-17-19(23-20)11-9-16-15-7-5-6-8-18(15)24-21(16)17;;/h5-12,24H,3-4,13-14H2,1-2H3,(H,22,23);2*1H
- InChI Key: SGXHARVEHTWTOG-UHFFFAOYSA-N
- SMILES: Cl.Cl.N1C2C=CC=CC=2C2C=CC3=C(C=CC(=N3)NCCN(CC)CC)C1=2
Computed Properties
- Exact Mass: 403.14595
- Monoisotopic Mass: 404.153
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 27
- Rotatable Bond Count: 6
- Complexity: 424
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 44?2
Experimental Properties
- Boiling Point: 567.9°Cat760mmHg
- Flash Point: 297.2°C
- PSA: 41.05
1,2-Ethanediamine,N1,N1-diethyl-N2-11H-pyrido[3,2-a]carbazol-3-yl-, hydrochloride (1:2) Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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