Cas no 2158-66-9 (1-Propanamine,3-chloro-N-(3-chloropropyl)-N-methyl-, hydrochloride (1:1))
2158-66-9 structure
Product Name:1-Propanamine,3-chloro-N-(3-chloropropyl)-N-methyl-, hydrochloride (1:1)
CAS No:2158-66-9
MF:C7H16Cl3N
MW:220.567639350891
CID:288897
PubChem ID:12557533
Update Time:2025-04-19
1-Propanamine,3-chloro-N-(3-chloropropyl)-N-methyl-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanamine,3-chloro-N-(3-chloropropyl)-N-methyl-, hydrochloride (1:1)
- 3-chloro-N-(3-chloropropyl)-N-methylpropan-1-amine,hydrochloride
- 2158-66-9
- DTXSID30944185
- SCHEMBL11465486
- 3-Chloro-N-(3-chloropropyl)-N-methylpropan-1-amine;hydrochloride
- NSC-126213
- N,N-bis(3-chloropropyl)methylamine hydrochloride
- N,N-bis(3-chloropropyl) methylamine hydrochloride
- 3-Chloro-N-(3-chloropropyl)-N-methylpropan-1-amine hydrochloride
- NHONRWLXVRUKET-UHFFFAOYSA-N
- NSC126213
- 3-Chloro-N-(3-chloropropyl)-N-methylpropan-1-amine--hydrogen chloride (1/1)
- 1-Propanamine, 3-chloro-N-(3-chloropropyl)-N-methyl-, hydrochloride
-
- Inchi： 1S/C7H15Cl2N.ClH/c1-10(6-2-4-8)7-3-5-9;/h2-7H2,1H3;1H
- InChI Key： NHONRWLXVRUKET-UHFFFAOYSA-N
- SMILES： ClCCCN(C)CCCCl.Cl
Computed Properties
- Exact Mass: 183.05835
- Monoisotopic Mass: 219.034833
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 60.6
- Covalently-Bonded Unit Count: 2
- 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
Experimental Properties
- Density: 1.057
- Boiling Point: 222.1°Cat760mmHg
- Flash Point: 88.1°C
- Refractive Index: 1.462
- PSA: 3.24
- LogP: 2.97800
1-Propanamine,3-chloro-N-(3-chloropropyl)-N-methyl-, hydrochloride (1:1) Related Literature
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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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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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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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