Cas no 112745-28-5 (Piperazinium,4-(2-hydroxyethyl)-1,1-dimethyl-)
112745-28-5 structure
Product Name:Piperazinium,4-(2-hydroxyethyl)-1,1-dimethyl-
CAS No:112745-28-5
MF:C8H19N2O
MW:159.249262094498
CID:129899
PubChem ID:25091538
Update Time:2025-04-19
Piperazinium,4-(2-hydroxyethyl)-1,1-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Piperazinium,4-(2-hydroxyethyl)-1,1-dimethyl-
- Piperazinium, 4-(2-hydroxyethyl)-1,1-dimethyl- (9CI)
- 112745-28-5
- SCHEMBL10682212
- 2-(4,4-Dimethylpiperazin-4-ium-1-yl)ethanol
-
- Inchi: 1S/C8H19N2O/c1-10(2)6-3-9(4-7-10)5-8-11/h11H,3-8H2,1-2H3/q+1
- InChI Key: FVAPMIFLEWAWIR-UHFFFAOYSA-N
- SMILES: OCCN1CC[N+](C)(C)CC1
Computed Properties
- Exact Mass: 272.08309
- Monoisotopic Mass: 159.149738234g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 115
- 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: -0.6
- Topological Polar Surface Area: 23.5?2
Experimental Properties
- PSA: 52.54
Piperazinium,4-(2-hydroxyethyl)-1,1-dimethyl- Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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