Cas no 1173023-64-7 (2-(hydroxymethyl)-2-nitropropane-1,3-diol-3C13)
1173023-64-7 structure
Product Name:2-(hydroxymethyl)-2-nitropropane-1,3-diol-3C13
CAS No:1173023-64-7
MF:C4H9NO5
MW:154.095926046371
CID:2615321
PubChem ID:329762446
Update Time:2025-04-21
2-(hydroxymethyl)-2-nitropropane-1,3-diol-3C13 Chemical and Physical Properties
Names and Identifiers
-
- 2-(hydroxymethyl)-2-nitropropane-1,3-diol-3C13
- TRIS-13C3
- 2-(hydroxy(113C)methyl)-2-nitro(1,3-13C2)propane-1,3-diol
- Tris(hydroxymethyl-13C)nitromethane, 99 atom % 13C, 98% (CP)
- 1173023-64-7
- 2-(Hydroxymethyl-13C)-2-nitropropane-1,3-diol-1,3-13C2
- 2-[Hydroxy(~13~C)methyl]-2-nitro(1,3-~13~C_2_)propane-1,3-diol
- DTXSID10745955
-
- MDL： MFCD12546035
- Inchi： 1S/C4H9NO5/c6-1-4(2-7,3-8)5(9)10/h6-8H,1-3H2/i1+1,2+1,3+1
- InChI Key： OLQJQHSAWMFDJE-VMIGTVKRSA-N
- SMILES： O[13CH2]C([13CH2]O)([13CH2]O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 154.05813689Da
- Monoisotopic Mass: 154.05813689Da
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 107
- 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: -2.2
- Topological Polar Surface Area: 107?2
Experimental Properties
- Melting Point: 160?°C (dec.)
2-(hydroxymethyl)-2-nitropropane-1,3-diol-3C13 Security Information
-
Symbol:
- Signal Word：Danger
- Hazard Statement： H318-H334
- Warning Statement： P261-P280-P305+P351+P338-P342+P311
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：2
- Hazard Category Code： 41-43
- Safety Instruction： 26-36/37/39
-
Hazardous Material Identification：
2-(hydroxymethyl)-2-nitropropane-1,3-diol-3C13 Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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