Cas no 111628-35-4 (1,2-Ethanediamine,N1-2-benzothiazolyl-N1,N2-dimethyl-)
111628-35-4 structure
Product Name:1,2-Ethanediamine,N1-2-benzothiazolyl-N1,N2-dimethyl-
CAS No:111628-35-4
MF:C11H15N3S
MW:221.321900606155
CID:129338
PubChem ID:10585091
Update Time:2025-04-18
1,2-Ethanediamine,N1-2-benzothiazolyl-N1,N2-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Ethanediamine,N1-2-benzothiazolyl-N1,N2-dimethyl-
- 1,2-Ethanediamine,N-2-benzothiazolyl-N,N-dimethyl-(9CI)
- SCHEMBL10626311
- AKOS011883033
- 111628-35-4
- N1-(Benzo[d]thiazol-2-yl)-N1,N2-dimethylethane-1,2-diamine
-
- Inchi: 1S/C11H15N3S/c1-12-7-8-14(2)11-13-9-5-3-4-6-10(9)15-11/h3-6,12H,7-8H2,1-2H3
- InChI Key: HPTXHUOLBAFRGW-UHFFFAOYSA-N
- SMILES: S1C2C=CC=CC=2N=C1N(C)CCNC
Computed Properties
- Exact Mass: 221.09885
- Monoisotopic Mass: 221.09866866g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 200
- 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: 2.4
- Topological Polar Surface Area: 56.4?2
Experimental Properties
- PSA: 28.16
1,2-Ethanediamine,N1-2-benzothiazolyl-N1,N2-dimethyl- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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