Cas no 30249-14-0 (1-Piperazinepropanol, b-methyl-)
30249-14-0 structure
Product Name:1-Piperazinepropanol, b-methyl-
CAS No:30249-14-0
MF:C8H18N2O
MW:158.241322040558
CID:309819
PubChem ID:242198
Update Time:2025-04-19
1-Piperazinepropanol, b-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Piperazinepropanol, b-methyl-
- (1-PROPYLPIPERAZIN-2-YL)METHANOL
- 2-methyl-3-piperazin-1-ylpropan-1-ol
- 2-methyl-3-(piperazin-1-yl)propan-1-ol
- 2-methyl-3-piperazin-1-yl-propan-1-ol
- AC1L68ZQ
- AC1Q7BLT
- AR-1E3521
- CTK4G4711
- NSC50455
- DTXSID30287347
- 1-Piperazinepropanol,-bta--methyl-(6CI,8CI,9CI)
- 30249-14-0
- NSC-50455
-
- Inchi： 1S/C8H18N2O/c1-8(7-11)6-10-4-2-9-3-5-10/h8-9,11H,2-7H2,1H3
- InChI Key： OHOJAUJUEBSOHD-UHFFFAOYSA-N
- SMILES： OCC(C)CN1CCNCC1
Computed Properties
- Exact Mass: 158.14204
- Monoisotopic Mass: 158.142
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 102
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 35.5A^2
- XLogP3: -0.3
Experimental Properties
- Density: 0.976
- Boiling Point: 271.9°C at 760 mmHg
- Flash Point: 118.2°C
- Refractive Index: 1.472
- PSA: 35.5
- LogP: -0.21330
1-Piperazinepropanol, b-methyl- Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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