Cas no 101976-33-4 (10H-Phenothiazine-10-ethanamine,N-(2-chloroethyl)-N,a-dimethyl-, hydrochloride (1:1))
101976-33-4 structure
Product Name:10H-Phenothiazine-10-ethanamine,N-(2-chloroethyl)-N,a-dimethyl-, hydrochloride (1:1)
CAS No:101976-33-4
MF:C18H22Cl2N2S
MW:369.351681232452
CID:152975
PubChem ID:3064133
Update Time:2025-04-19
10H-Phenothiazine-10-ethanamine,N-(2-chloroethyl)-N,a-dimethyl-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 10H-Phenothiazine-10-ethanamine,N-(2-chloroethyl)-N,a-dimethyl-, hydrochloride (1:1)
- N-(2-chloroethyl)-N-methyl-1-phenothiazin-10-ylpropan-2-amine
- N-(2-Chloroethyl)-N-methyl-1-(10H-phenothiazin-10-yl)propan-2-amine--hydrogen chloride (1/1)
- Phenothiazine, 10-(2-((2-chloroethyl)methylamino)propyl)-
- 10-(2-(N-beta-Chloroethyl-N-methyl)aminopropyl)phenothiazine, hydrochloride
- DTXSID40906931
- 101976-33-4
-
- Inchi： 1S/C18H21ClN2S.ClH/c1-14(20(2)12-11-19)13-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21;/h3-10,14H,11-13H2,1-2H3;1H
- InChI Key： SHGVNMFLNPHKJA-UHFFFAOYSA-N
- SMILES： ClCCN(C)C(C)CN1C2C=CC=CC=2SC2C=CC=CC1=2.Cl
Computed Properties
- Exact Mass: 368.08836
- Monoisotopic Mass: 332.111
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 5
- Complexity: 332
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.4
- Topological Polar Surface Area: 31.8?2
Experimental Properties
- Boiling Point: 428.1°Cat760mmHg
- Flash Point: 212.7°C
- PSA: 6.48
- LogP: 4.91340
10H-Phenothiazine-10-ethanamine,N-(2-chloroethyl)-N,a-dimethyl-, hydrochloride (1:1) Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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