Cas no 104317-88-6 (1-Piperazineethanol, a-[[(1-methylethyl)amino]methyl]-4-phenyl-,hydrochloride (1:1))
![1-Piperazineethanol, a-[[(1-methylethyl)amino]methyl]-4-phenyl-,hydrochloride (1:1) structure](https://ossimg.kuujia.com/scimg/104500/104317-88-6x500.png)
104317-88-6 structure
Product Name:1-Piperazineethanol, a-[[(1-methylethyl)amino]methyl]-4-phenyl-,hydrochloride (1:1)
CAS No:104317-88-6
MF:C16H28ClN3O
MW:313.86602306366
CID:195923
PubChem ID:11971532
Update Time:2025-04-19
1-Piperazineethanol, a-[[(1-methylethyl)amino]methyl]-4-phenyl-,hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
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- 1-Piperazineethanol, a-[[(1-methylethyl)amino]methyl]-4-phenyl-,hydrochloride (1:1)
- 1-Piperazineethanol,a-[[(1-methylethyl)amino]methyl]-4-phenyl-,monohydrochloride (9CI)
- 1-(4-phenylpiperazin-1-yl)-3-(propan-2-ylamino)propan-2-ol,hydrochloride
- DTXSID20908918
- 1-Piperazineethanol, alpha-(((1-methylethyl)amino)methyl)-4-phenyl-, hydrochloride
- alpha-(((1-Methylethyl)amino)methyl)-4-phenyl-1-piperazineethanol hydrochloride
- 104317-88-6
- 1-(4-Phenylpiperazin-1-yl)-3-[(propan-2-yl)amino]propan-2-ol--hydrogen chloride (1/1)
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- Inchi： 1S/C16H27N3O.ClH/c1-14(2)17-12-16(20)13-18-8-10-19(11-9-18)15-6-4-3-5-7-15;/h3-7,14,16-17,20H,8-13H2,1-2H3;1H
- InChI Key： QUHDMFQRKSBZDW-UHFFFAOYSA-N
- SMILES： Cl.OC(CNC(C)C)CN1CCN(C2C=CC=CC=2)CC1
Computed Properties
- Exact Mass: 313.19234
- Monoisotopic Mass: 313.19209
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 258
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 38.7
Experimental Properties
- Boiling Point: 432.1°Cat760mmHg
- Flash Point: 215.1°C
- PSA: 38.74
- LogP: 2.36330
1-Piperazineethanol, a-[[(1-methylethyl)amino]methyl]-4-phenyl-,hydrochloride (1:1) Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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