Cas no 40550-12-7 (1,3-Propanediamine,2-chloro-N1,N1,N3,N3-tetramethyl-)
40550-12-7 structure
Product Name:1,3-Propanediamine,2-chloro-N1,N1,N3,N3-tetramethyl-
CAS No:40550-12-7
MF:C7H17ClN2
MW:164.676280736923
CID:334916
PubChem ID:3016194
Update Time:2025-04-19
1,3-Propanediamine,2-chloro-N1,N1,N3,N3-tetramethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediamine,2-chloro-N1,N1,N3,N3-tetramethyl-
- 2-chloro-N,N,N',N'-tetramethylpropane-1,3-diamine
- 40550-12-7
- EINECS 254-969-1
- NS00030812
- SCHEMBL5886370
- DTXSID90193571
-
- Inchi： 1S/C7H17ClN2/c1-9(2)5-7(8)6-10(3)4/h7H,5-6H2,1-4H3
- InChI Key： SCMRSXYMRBPCRB-UHFFFAOYSA-N
- SMILES： ClC(CN(C)C)CN(C)C
Computed Properties
- Exact Mass: 164.108
- Monoisotopic Mass: 164.108
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 73.7
- 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: 1
- Topological Polar Surface Area: 6.5?2
Experimental Properties
- Density: 0.966
- Boiling Point: 124.6°Cat760mmHg
- Flash Point: 29.1°C
- Refractive Index: 1.46
1,3-Propanediamine,2-chloro-N1,N1,N3,N3-tetramethyl- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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