Cas no 116203-86-2 (2-Propan-1,1-d2-ol,1-(methyl-d3-nitrosoamino)- (9CI))
116203-86-2 structure
Product Name:2-Propan-1,1-d2-ol,1-(methyl-d3-nitrosoamino)- (9CI)
CAS No:116203-86-2
MF:C4H10N2O2
MW:123.165209293365
CID:187429
PubChem ID:146626
Update Time:2025-04-19
2-Propan-1,1-d2-ol,1-(methyl-d3-nitrosoamino)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Propan-1,1-d2-ol,1-(methyl-d3-nitrosoamino)- (9CI)
- N-(1,1-dideuterio-2-hydroxypropyl)-N-methylnitrous amide
- N-Nitroso-N-methyl-D3-N-(2-oxopropyl-1-D2)amine
- 116203-86-2
- N-(1,1-dideuterio-2-hydroxypropyl)-N-(trideuteriomethyl)nitrous amide
- DTXSID20921965
- N-[2-Hydroxy(1,1-~2~H_2_)propyl]-N-(~2~H_3_)methylnitrous amide
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- Inchi： 1S/C4H10N2O2/c1-4(7)3-6(2)5-8/h4,7H,3H2,1-2H3/i2D3,3D2
- InChI Key： SJPQUECDNWANFT-PDWRLMEDSA-N
- SMILES： OC(C)C([2H])([2H])N(C([2H])([2H])[2H])N=O
Computed Properties
- Exact Mass: 128.137
- Monoisotopic Mass: 120.087
- Isotope Atom Count: 2
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 76.4
- 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
- Topological Polar Surface Area: 52.9A^2
- XLogP3: -0.1
Experimental Properties
- Density: 1.17
- Boiling Point: 262.4°C at 760 mmHg
- Flash Point: 112.5°C
- Refractive Index: 1.47
- PSA: 52.9
2-Propan-1,1-d2-ol,1-(methyl-d3-nitrosoamino)- (9CI) Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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