Cas no 56065-35-1 (Heptane,4-isocyanato-4-propyl-)
56065-35-1 structure
Product Name:Heptane,4-isocyanato-4-propyl-
CAS No:56065-35-1
MF:C11H21NO
MW:183.290543317795
CID:377466
PubChem ID:92004
Update Time:2025-04-19
Heptane,4-isocyanato-4-propyl- Chemical and Physical Properties
Names and Identifiers
-
- Heptane,4-isocyanato-4-propyl-
- 1,1-dipropylbutyl isocyanate
- 4-isocyanato-4-propylheptane
- 56065-35-1
- EINECS 259-976-3
- 1,1-di-n-propyl-n-butylisocyanate
- NS00033453
- DTXSID50204612
- GXJWKOQDAJVDKL-UHFFFAOYSA-N
- SCHEMBL11407031
-
- Inchi： 1S/C11H21NO/c1-4-7-11(8-5-2,9-6-3)12-10-13/h4-9H2,1-3H3
- InChI Key： GXJWKOQDAJVDKL-UHFFFAOYSA-N
- SMILES： O=C=NC(CCC)(CCC)CCC
Computed Properties
- Exact Mass: 183.16243
- Monoisotopic Mass: 183.162314293g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 154
- 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: 4.6
- Topological Polar Surface Area: 29.4?2
Experimental Properties
- PSA: 29.43
Heptane,4-isocyanato-4-propyl- Related Literature
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
56065-35-1 (Heptane,4-isocyanato-4-propyl-) Related Products
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- 28679-16-5(Trimethylhexamethylene Diisocyanate(2,2,4-and2,4,4-mixture))
- 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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