Cas no 97565-89-4 (N-BUTANE-1,1,2,2,3,3,4,4,4-D9)
N-BUTANE-1,1,2,2,3,3,4,4,4-D9 structure
Product Name:N-BUTANE-1,1,2,2,3,3,4,4,4-D9
CAS No:97565-89-4
MF:C4H10
MW:67.1776566505432
CID:803571
PubChem ID:12196270
Update Time:2025-04-19
N-BUTANE-1,1,2,2,3,3,4,4,4-D9 Chemical and Physical Properties
Names and Identifiers
-
- N-BUTANE-1,1,2,2,3,3,4,4,4-D9
- n-butane-d9
- 97565-89-4
-
- Inchi： 1S/C4H10/c1-3-4-2/h3-4H2,1-2H3/i1D2,2D3,3D2,4D2
- InChI Key： IJDNQMDRQITEOD-SWNXBZEESA-N
- SMILES： C([2H])([2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])[2H]
Computed Properties
- Exact Mass: 67.134741032g/mol
- Monoisotopic Mass: 67.134741032g/mol
- Isotope Atom Count: 9
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 4
- Rotatable Bond Count: 1
- Complexity: 2
- 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: 0?2
N-BUTANE-1,1,2,2,3,3,4,4,4-D9 Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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