Cas no 122775-18-2 (3-Hydroxy-propanenitrile-2,2,3,3-d4)
3-Hydroxy-propanenitrile-2,2,3,3-d4 is a deuterated analog of 3-hydroxypropanenitrile, where four hydrogen atoms are replaced with deuterium at the 2,2,3,3 positions. This isotopic labeling enhances the compound's utility in NMR spectroscopy and mass spectrometry, providing distinct spectral signatures for precise structural analysis. The deuterium substitution also minimizes metabolic interference in tracer studies, making it valuable for investigating reaction mechanisms and metabolic pathways. Its high isotopic purity ensures reliable data in kinetic and mechanistic research. The compound is particularly useful in pharmaceutical and biochemical applications, where labeled intermediates are critical for tracking molecular transformations with minimal background noise.
122775-18-2 structure
Product Name:3-Hydroxy-propanenitrile-2,2,3,3-d4
CAS No:122775-18-2
MF:C3H5NO
MW:75.1025474071503
CID:137585
PubChem ID:12263232
Update Time:2025-06-07
3-Hydroxy-propanenitrile-2,2,3,3-d4 Chemical and Physical Properties
Names and Identifiers
-
- Propanenitrile-2,2,3,3-d4,3-hydroxy- (9CI)
- 3-HYDROXYPROPIONONITRILE-2,2,3,3-D4
- 3-HYDROXYPROPIONITRILE-2,2,3,3-D4
- 3-?Hydroxy-propanenitrile-?2,?2,?3,?3-?d4
- 2,2,3,3-tetradeuterio-3-hydroxypropanenitrile
- AKOS015911142
- 122775-18-2
- Propanenitrile-2,2,3,3-d4,3-hydroxy-(9ci)
- DTXSID60483017
- 3-Hydroxypropionitrile-2,2,3,3-d4, 98 atom % D
- 3-Hydroxy-propanenitrile-2,2,3,3-d4
-
- Inchi： 1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2/i1D2,3D2
- InChI Key： WSGYTJNNHPZFKR-VEPVEJTGSA-N
- SMILES： OC([2H])([2H])C([2H])([2H])C#N
Computed Properties
- Exact Mass: 79.08731
- Monoisotopic Mass: 75.062220767g/mol
- Isotope Atom Count: 4
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 5
- Rotatable Bond Count: 1
- Complexity: 51.2
- 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: -0.9
- Topological Polar Surface Area: 44?2
Experimental Properties
- Density: 1.041?g/mL?at 25?°C
- Melting Point: -46?°C
- Boiling Point: 228?°C(lit.)
- Flash Point: 113?°C
- PSA: 44.02
3-Hydroxy-propanenitrile-2,2,3,3-d4 Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | H951001-2.5mg |
3-?Hydroxy-propanenitrile-?2,?2,?3,?3-?d4 |
122775-18-2 | 2.5mg |
$87.00 | 2023-05-18 | ||
| TRC | H951001-5mg |
3-?Hydroxy-propanenitrile-?2,?2,?3,?3-?d4 |
122775-18-2 | 5mg |
$138.00 | 2023-05-18 | ||
| TRC | H951001-10mg |
3-?Hydroxy-propanenitrile-?2,?2,?3,?3-?d4 |
122775-18-2 | 10mg |
$236.00 | 2023-05-18 | ||
| TRC | H951001-25mg |
3-?Hydroxy-propanenitrile-?2,?2,?3,?3-?d4 |
122775-18-2 | 25mg |
$557.00 | 2023-05-18 | ||
| TRC | H951001-50mg |
3-?Hydroxy-propanenitrile-?2,?2,?3,?3-?d4 |
122775-18-2 | 50mg |
$ 800.00 | 2023-09-07 | ||
| TRC | H951001-100mg |
3-?Hydroxy-propanenitrile-?2,?2,?3,?3-?d4 |
122775-18-2 | 100mg |
$1860.00 | 2023-05-18 |
3-Hydroxy-propanenitrile-2,2,3,3-d4 Related Literature
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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