Cas no 112747-94-1 (1-(2-chloroethyl)-4-(3-chloropropyl)-Piperazine)
112747-94-1 structure
Product Name:1-(2-chloroethyl)-4-(3-chloropropyl)-Piperazine
CAS No:112747-94-1
MF:C9H18Cl2N2
MW:225.158620357513
CID:1099370
PubChem ID:434165
Update Time:2025-04-20
1-(2-chloroethyl)-4-(3-chloropropyl)-Piperazine Chemical and Physical Properties
Names and Identifiers
-
- 1-(2-chloroethyl)-4-(3-chloropropyl)-Piperazine
- 1-(2-chloroethyl)-4-(3-chloropropyl)piperazine
- Piperazine, 1-[2-chloroethyl]-4-[3-chloropropyl]-
- NSC344007
- CHEMBL2009892
- DTXSID60330991
- Piperazine, 1-(2-chloroethyl)-4-(3-chloropropyl)-, dihydrochloride
- QPTRATAVQVHORS-UHFFFAOYSA-N
- 1-(2-Chloroethyl)-4-(3-chloropropyl)piperazine #
- NCI60_003056
- SCHEMBL10552270
- 112747-94-1
-
- Inchi： 1S/C9H18Cl2N2/c10-2-1-4-12-6-8-13(5-3-11)9-7-12/h1-9H2
- InChI Key： QPTRATAVQVHORS-UHFFFAOYSA-N
- SMILES： ClCCN1CCN(CCCCl)CC1
Computed Properties
- Exact Mass: 224.0847040g/mol
- Monoisotopic Mass: 224.0847040g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 125
- 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: 1.6
- Topological Polar Surface Area: 6.5?2
1-(2-chloroethyl)-4-(3-chloropropyl)-Piperazine Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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