Cas no 101976-54-9 (1,2-Benzenediamine,N1-[2-(diethylamino)ethyl]-, hydrochloride (1:2))
![1,2-Benzenediamine,N1-[2-(diethylamino)ethyl]-, hydrochloride (1:2) structure](https://ossimg.kuujia.com/scimg/102000/101976-54-9x500.png)
101976-54-9 structure
Product Name:1,2-Benzenediamine,N1-[2-(diethylamino)ethyl]-, hydrochloride (1:2)
CAS No:101976-54-9
MF:C12H23Cl2N3
MW:280.237120866776
CID:221397
PubChem ID:3064155
Update Time:2025-04-19
1,2-Benzenediamine,N1-[2-(diethylamino)ethyl]-, hydrochloride (1:2) Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediamine,N1-[2-(diethylamino)ethyl]-, hydrochloride (1:2)
- 2-N-[2-(diethylamino)ethyl]benzene-1,2-diamine,dihydrochloride
- DTXSID10144484
- 101976-54-9
- o-Phenylenediamine, N-(2-(diethylamino)ethyl)-, dihydrochloride
- N-(2-Diethylaminoethyl)-o-phenylenediamine, dihydrochloride
-
- Inchi： 1S/C12H21N3.2ClH/c1-3-15(4-2)10-9-14-12-8-6-5-7-11(12)13;;/h5-8,14H,3-4,9-10,13H2,1-2H3;2*1H
- InChI Key： GOPJYYKEGCQQAX-UHFFFAOYSA-N
- SMILES： Cl.Cl.N(CC)(CC)CCNC1C=CC=CC=1N
Computed Properties
- Exact Mass: 279.12719
- Monoisotopic Mass: 279.127
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 157
- 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: 41.3?2
Experimental Properties
- Boiling Point: 347.4°C at 760 mmHg
- Flash Point: 163.9°C
- PSA: 41.29
- LogP: 4.28070
1,2-Benzenediamine,N1-[2-(diethylamino)ethyl]-, hydrochloride (1:2) Related Literature
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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M. A. Piechowiak,A. Videcoq,R. Ferrando,D. Bochicchio,C. Pagnoux,F. Rossignol Phys. Chem. Chem. Phys., 2012,14, 1431-1439
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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