Cas no 39643-98-6 (Benzenamine,N,N-bis(2-chloroethyl)-2,5-dimethyl-)
39643-98-6 structure
Product Name:Benzenamine,N,N-bis(2-chloroethyl)-2,5-dimethyl-
CAS No:39643-98-6
MF:C12H17Cl2N
MW:246.176081418991
CID:308731
PubChem ID:148310
Update Time:2025-04-19
Benzenamine,N,N-bis(2-chloroethyl)-2,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine,N,N-bis(2-chloroethyl)-2,5-dimethyl-
- N,N-bis(2-chloroethyl)-2,5-dimethylaniline
- 39643-98-6
- Benzenamine, N,N-bis(2-chloroethyl)-2,5-dimethyl-
- DTXSID60192753
-
- Inchi： 1S/C12H17Cl2N/c1-10-3-4-11(2)12(9-10)15(7-5-13)8-6-14/h3-4,9H,5-8H2,1-2H3
- InChI Key： UGSCYBIRSLWJGR-UHFFFAOYSA-N
- SMILES： ClCCN(CCCl)C1C=C(C)C=CC=1C
Computed Properties
- Exact Mass: 245.07401
- Monoisotopic Mass: 245.073805
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 169
- 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
- Topological Polar Surface Area: 3.2
- XLogP3: 4
Experimental Properties
- Density: 1.141
- Boiling Point: 337.2°C at 760 mmHg
- Flash Point: 157.7°C
- Refractive Index: 1.554
- PSA: 3.24
Benzenamine,N,N-bis(2-chloroethyl)-2,5-dimethyl- Related Literature
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Somenath Panda,Kaushik Kundu,Anusha Basaiahgari,Sanjib Senapati,Ramesh L. Gardas New J. Chem., 2018,42, 7105-7118
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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