Cas no 357407-86-4 (N,1,2,2,2-Pentadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)-N-(trideuteriomethyl)ethanamine)
357407-86-4 structure
Product Name:N,1,2,2,2-Pentadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)-N-(trideuteriomethyl)ethanamine
CAS No:357407-86-4
MF:C9H13N
MW:148.286324262619
CID:920646
Update Time:2023-08-02
N,1,2,2,2-Pentadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)-N-(trideuteriomethyl)ethanamine Chemical and Physical Properties
Names and Identifiers
-
- (R)-(+)-N-METHYL-1-PHENYLETHYLAMINE-D13
- N,1,2,2,2-pentadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)-N-(trideuteriomethyl)ethanamine
- M1771
- N-(~2~H_3_)Methyl-1-(~2~H_5_)phenyl(~2~H_4_)ethan-1-(~2~H)amine
- N,1,2,2,2-Pentadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)-N-(trideuteriomethyl)ethanamine
-
- Inchi: 1S/C9H13N/c1-8(10-2)9-6-4-3-5-7-9/h3-8,10H,1-2H3/i1D3,2D3,3D,4D,5D,6D,7D,8D/hD
- InChI Key: RCSSHZGQHHEHPZ-RAKNGISTSA-N
- SMILES: N([2H])(C([2H])([2H])[2H])C([2H])(C([2H])([2H])[2H])C1C([2H])=C([2H])C([2H])=C([2H])C=1[2H]
Computed Properties
- Isotope Atom Count: 13
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 84.7
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.7
- Topological Polar Surface Area: 12
Experimental Properties
- Color/Form: Not determined
- Refractive Index: 67 ° (C=2, CHCl3)
- Solubility: Not determined
N,1,2,2,2-Pentadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)-N-(trideuteriomethyl)ethanamine Security Information
- Hazardous Material transportation number:UN 2735 8/PG II
- HazardClass:8
- PackingGroup:II
N,1,2,2,2-Pentadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)-N-(trideuteriomethyl)ethanamine Related Literature
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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