Cas no 131426-06-7 (1,4-Butanediol,2-(dimethylamino)-)
131426-06-7 structure
Product Name:1,4-Butanediol,2-(dimethylamino)-
CAS No:131426-06-7
MF:C6H15NO2
MW:133.18880200386
CID:102330
PubChem ID:19827514
Update Time:2025-04-18
1,4-Butanediol,2-(dimethylamino)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Butanediol,2-(dimethylamino)-
- 1,4-Butanediol,2-(dimethylamino)-(9CI)
- 2-(Dimethylamino)butane-1,4-diol
- SCHEMBL9328691
- 131426-06-7
-
- Inchi： 1S/C6H15NO2/c1-7(2)6(5-9)3-4-8/h6,8-9H,3-5H2,1-2H3
- InChI Key： ZNKSSXQRMZQHPQ-UHFFFAOYSA-N
- SMILES： OCC(CCO)N(C)C
Computed Properties
- Exact Mass: 133.11035
- Monoisotopic Mass: 133.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 66.1
- 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
- XLogP3: -0.7
- Topological Polar Surface Area: 43.7?2
Experimental Properties
- PSA: 43.7
1,4-Butanediol,2-(dimethylamino)- 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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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
131426-06-7 (1,4-Butanediol,2-(dimethylamino)-) Related Products
- 17199-17-6(2-(Dimethylamino)butan-1-ol)
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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