Cas no 100454-15-7 (3-Isoxazolecarboxylicacid, 5-methyl-, 2-heptylhydrazide)
100454-15-7 structure
Product Name:3-Isoxazolecarboxylicacid, 5-methyl-, 2-heptylhydrazide
CAS No:100454-15-7
MF:C12H21N3O2
MW:239.314042806625
CID:219249
PubChem ID:57869
Update Time:2025-04-19
3-Isoxazolecarboxylicacid, 5-methyl-, 2-heptylhydrazide Chemical and Physical Properties
Names and Identifiers
-
- 3-Isoxazolecarboxylicacid, 5-methyl-, 2-heptylhydrazide
- N'-heptyl-5-methyl-1,2-oxazole-3-carbohydrazide
- DTXSID60143301
- 3-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-, 2-HEPTYLHYDRAZIDE
- 100454-15-7
- 5-Methyl-3-isoxazolecarboxylic acid 2-heptylhydrazide
-
- Inchi: 1S/C12H21N3O2/c1-3-4-5-6-7-8-13-14-12(16)11-9-10(2)17-15-11/h9,13H,3-8H2,1-2H3,(H,14,16)
- InChI Key: VOLLVHDZKFCEQK-UHFFFAOYSA-N
- SMILES: O1C(C)=CC(C(NNCCCCCCC)=O)=N1
Computed Properties
- Exact Mass: 239.16353
- Monoisotopic Mass: 239.163377
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 224
- 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: 2.9
- Topological Polar Surface Area: 67.2
Experimental Properties
- Density: 1.04
- Boiling Point: 353.4°C at 760 mmHg
- Flash Point: 167.5°C
- Refractive Index: 1.49
- PSA: 67.16
- LogP: 2.96960
3-Isoxazolecarboxylicacid, 5-methyl-, 2-heptylhydrazide Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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