Cas no 93820-45-2 (isooctanoic acid, compound with isononylamine (1:1))
93820-45-2 structure
Product Name:isooctanoic acid, compound with isononylamine (1:1)
CAS No:93820-45-2
MF:C17H37NO2
MW:287.481185674667
CID:1983320
PubChem ID:44152603
Update Time:2025-04-21
isooctanoic acid, compound with isononylamine (1:1) Chemical and Physical Properties
Names and Identifiers
-
- isooctanoic acid, compound with isononylamine (1:1)
- 6-methylheptanoic acid,7-methyloctan-1-amine
- EINECS 298-624-3
- DTXSID30917733
- 93820-45-2
- 6-Methylheptanoic acid--7-methyloctan-1-amine (1/1)
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- Inchi： 1S/C9H21N.C8H16O2/c1-9(2)7-5-3-4-6-8-10;1-7(2)5-3-4-6-8(9)10/h9H,3-8,10H2,1-2H3;7H,3-6H2,1-2H3,(H,9,10)
- InChI Key： SSHQWPUWKHEJQA-UHFFFAOYSA-N
- SMILES： OC(CCCCC(C)C)=O.NCCCCCCC(C)C
Computed Properties
- Exact Mass: 287.282
- Monoisotopic Mass: 287.282
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 11
- Complexity: 157
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 63.3A^2
isooctanoic acid, compound with isononylamine (1:1) Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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