Cas no 88523-50-6 (Heptane, 2-isocyano-2-methyl-)
Heptane, 2-isocyano-2-methyl- structure
Product Name:Heptane, 2-isocyano-2-methyl-
CAS No:88523-50-6
MF:C9H17N
MW:139.23798251152
CID:629794
PubChem ID:54213849
Update Time:2025-04-19
Heptane, 2-isocyano-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Heptane, 2-isocyano-2-methyl-
- 2-isocyano-2-methylheptane
- SCHEMBL2870095
- DTXSID20709806
- 88523-50-6
-
- Inchi： 1S/C9H17N/c1-5-6-7-8-9(2,3)10-4/h5-8H2,1-3H3
- InChI Key： PXTNWVZRESNBKL-UHFFFAOYSA-N
- SMILES： [N+](#[C-])C(C)(C)CCCCC
Computed Properties
- Exact Mass: 139.136099547g/mol
- Monoisotopic Mass: 139.136099547g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 127
- 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: 2.8
- Topological Polar Surface Area: 4.4?2
Heptane, 2-isocyano-2-methyl- Related Literature
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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