Cas no 27445-38-1 (1,2-Ethanediamine,N1,N1-dimethyl-N2-phenyl-N2-(2-pyridinylmethyl)-, hydrochloride (1:1))
27445-38-1 structure
Product Name:1,2-Ethanediamine,N1,N1-dimethyl-N2-phenyl-N2-(2-pyridinylmethyl)-, hydrochloride (1:1)
CAS No:27445-38-1
MF:C16H22ClN3
MW:291.818982601166
CID:257227
PubChem ID:33848
Update Time:2025-04-19
1,2-Ethanediamine,N1,N1-dimethyl-N2-phenyl-N2-(2-pyridinylmethyl)-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Ethanediamine,N1,N1-dimethyl-N2-phenyl-N2-(2-pyridinylmethyl)-, hydrochloride (1:1)
- dimethyl-[2-[N-(pyridin-2-ylmethyl)anilino]ethyl]azanium,chloride
- ETHYLENEDIAMINE, N,N-DIMETHYL-N'-PHENYL-N'-(2-PYRIDYLMETHYL)-, HYDROCHLORIDE
- 27445-38-1
- N,N-Dimethyl-N'-phenyl-N'-(2-picolyl)ethylenediamine hydrochloride
- Aniline, N-(2-dimethylaminoethyl)-N-(2-pyridylmethyl)-, hydrochloride
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- Inchi： 1S/C16H21N3.ClH/c1-18(2)12-13-19(16-9-4-3-5-10-16)14-15-8-6-7-11-17-15;/h3-11H,12-14H2,1-2H3;1H
- InChI Key： GVGXXEHUMOCYOS-UHFFFAOYSA-N
- SMILES： [Cl-].[NH+](C)(C)CCN(C1C=CC=CC=1)CC1C=CC=CN=1
Computed Properties
- Exact Mass: 268.9782
- Monoisotopic Mass: 291.150225
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 6
- Complexity: 236
- 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: 20.6
Experimental Properties
- Boiling Point: 383.2°C at 760 mmHg
- Flash Point: 185.5°C
- PSA: 22.03
1,2-Ethanediamine,N1,N1-dimethyl-N2-phenyl-N2-(2-pyridinylmethyl)-, hydrochloride (1:1) Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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