Cas no 61515-64-8 (1-Piperidinebutanol, 4-heptyl-4-methyl-, hydrochloride)
61515-64-8 structure
Product Name:1-Piperidinebutanol, 4-heptyl-4-methyl-, hydrochloride
CAS No:61515-64-8
MF:C17H36ClNO
MW:305.926844596863
CID:476611
PubChem ID:71395071
Update Time:2025-04-19
1-Piperidinebutanol, 4-heptyl-4-methyl-, hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- 1-Piperidinebutanol, 4-heptyl-4-methyl-, hydrochloride
- 4-(4-heptyl-4-methylpiperidin-1-yl)butan-1-ol,hydrochloride
- 61515-64-8
- 4-(4-Heptyl-4-methylpiperidin-1-yl)butan-1-ol--hydrogen chloride (1/1)
- DTXSID20816726
-
- Inchi： 1S/C17H35NO.ClH/c1-3-4-5-6-7-10-17(2)11-14-18(15-12-17)13-8-9-16-19;/h19H,3-16H2,1-2H3;1H
- InChI Key： TVFVEQVSZJAGDS-UHFFFAOYSA-N
- SMILES： Cl.OCCCCN1CCC(C)(CCCCCCC)CC1
Computed Properties
- Exact Mass: 305.24878
- Monoisotopic Mass: 305.2485425g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 10
- Complexity: 209
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 23.5?2
Experimental Properties
- PSA: 23.47
1-Piperidinebutanol, 4-heptyl-4-methyl-, hydrochloride Related Literature
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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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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
61515-64-8 (1-Piperidinebutanol, 4-heptyl-4-methyl-, hydrochloride) Related Products
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