Cas no 3612-78-0 (3-Pyridinecarboxylicacid, dodecyl ester)
3612-78-0 structure
Product Name:3-Pyridinecarboxylicacid, dodecyl ester
CAS No:3612-78-0
MF:C18H29NO2
MW:291.428365468979
CID:323827
PubChem ID:251842
Update Time:2025-04-19
3-Pyridinecarboxylicacid, dodecyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxylicacid, dodecyl ester
- dodecyl pyridine-3-carboxylate
- AC1L5KQH
- AC1Q67C7
- AR-1K7328
- CTK4H5930
- Dodecylnicotinat
- lauryl nicotinate
- NCIOpen2_003826
- n-dodecyl nicotinate
- Nicotinic acid, dodecyl ester
- Nicotinsaeure-dodecylester
- NSC72785
- SureCN977087
- NSC-72785
- Nicotinic acid dodecyl ester
- 3612-78-0
- 3-Pyridinecarboxylic acid, dodecyl ester
- Nicotinic acid,dodecyl ester
- DTXSID00291052
- pyridine-3-carboxylic acid dodecyl ester
- SCHEMBL977087
-
- Inchi： 1S/C18H29NO2/c1-2-3-4-5-6-7-8-9-10-11-15-21-18(20)17-13-12-14-19-16-17/h12-14,16H,2-11,15H2,1H3
- InChI Key： OOBIYKZOAIQDEC-UHFFFAOYSA-N
- SMILES： O(C(C1C=NC=CC=1)=O)CCCCCCCCCCCC
Computed Properties
- Exact Mass: 291.21997
- Monoisotopic Mass: 291.22
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 13
- Complexity: 256
- 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: 6.8
- Topological Polar Surface Area: 39.2?2
Experimental Properties
- Density: 0.964
- Boiling Point: 382.9°Cat760mmHg
- Flash Point: 185.4°C
- Refractive Index: 1.488
- PSA: 39.19
- LogP: 5.15930
3-Pyridinecarboxylicacid, dodecyl ester Related Literature
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
3612-78-0 (3-Pyridinecarboxylicacid, dodecyl ester) Related Products
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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