Cas no 39891-44-6 ( )
structure
Product Name:
CAS No:39891-44-6
MF:C13H17NO4
MW:251.278383970261
CID:925026
PubChem ID:285620
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- dipropyl pyridine-3,5-dicarboxylate
- AC1L63GI
- AC1Q2Y7H
- AC1Q66MQ
- AG-J-40820
- AR-1I6286
- CTK4I2054
- dipropyl 3,5-pyridinedicarboxylate
- NSC142641
- pyridine-3,5-dicarboxylic acid dipropyl ester
- SureCN6261377
- DTXSID90301371
- NSC-142641
- SCHEMBL6261377
- 39891-44-6
- NSC 142641
- AKOS024323233
-
-
- Inchi： 1S/C13H17NO4/c1-3-5-17-12(15)10-7-11(9-14-8-10)13(16)18-6-4-2/h7-9H,3-6H2,1-2H3
- InChI Key： ZNNKQZCHFVLTNK-UHFFFAOYSA-N
- SMILES： O(C(C1C=NC=C(C(=O)OCCC)C=1)=O)CCC
Computed Properties
- Exact Mass: 251.11581
- Monoisotopic Mass: 251.116
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 254
- 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: 2.3
- Topological Polar Surface Area: 65.5?2
Experimental Properties
- Density: 1.119
- Boiling Point: 332.2°C at 760 mmHg
- Flash Point: 154.7°C
- Refractive Index: 1.503
- PSA: 65.49
- LogP: 2.21520
Related Literature
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
-
4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
39891-44-6 ( ) Related Products
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