Cas no 69878-16-6 (Hexanoic acid, 2,6-diisocyanato-, 3-isocyanatopropyl ester)
69878-16-6 structure
Product Name:Hexanoic acid, 2,6-diisocyanato-, 3-isocyanatopropyl ester
CAS No:69878-16-6
MF:C12H15N3O5
MW:281.264602899551
CID:391200
PubChem ID:71374342
Update Time:2025-04-19
Hexanoic acid, 2,6-diisocyanato-, 3-isocyanatopropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid, 2,6-diisocyanato-, 3-isocyanatopropyl ester
- 3-isocyanatopropyl 2,6-diisocyanatohexanoate
- 69878-16-6
- DTXSID50797130
- SCHEMBL1271466
- 3-Isocyanatopropyl N~2~,N~6~-bis(oxomethylidene)lysinate
-
- Inchi： 1S/C12H15N3O5/c16-8-13-5-2-1-4-11(15-10-18)12(19)20-7-3-6-14-9-17/h11H,1-7H2
- InChI Key： IJQNXPNUXPJSBH-UHFFFAOYSA-N
- SMILES： O(CCCN=C=O)C(C(CCCCN=C=O)N=C=O)=O
Computed Properties
- Exact Mass: 281.10125
- Monoisotopic Mass: 281.10117059g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 20
- Rotatable Bond Count: 12
- Complexity: 432
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.1
- Topological Polar Surface Area: 115?2
Experimental Properties
- PSA: 114.59
Hexanoic acid, 2,6-diisocyanato-, 3-isocyanatopropyl ester Related Literature
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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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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
69878-16-6 (Hexanoic acid, 2,6-diisocyanato-, 3-isocyanatopropyl ester) Related Products
- 45172-15-4((S)-Ethyl 2,6-diisocyanatohexanoate)
- 17046-23-0(2-Isocyanatopentanedioic acid diethyl ester)
- 64505-10-8(Ethyl 2-isocyanato-4-methylvalerate)
- 145080-95-1(diethyl (2S)-2-isocyanatopentanedioate)
- 4460-02-0(Methyl 2,6-Diisocyanatocaproate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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