Cas no 17795-27-6 (alliin)
alliin structure
Product Name:alliin
CAS No:17795-27-6
MF:C6H11NO3S
MW:177.221440553665
CID:906579
PubChem ID:121922
Update Time:2025-04-19
alliin Chemical and Physical Properties
Names and Identifiers
-
- alliin
- 3-(2-propenylsulfinyl)-Alanine
- Pcso
- S-Allylcysteine sulfoxide
- XUHLIQGRKRUKPH-UHFFFAOYSA-N
- S-ALLYL-L-CYSTEINESULPHOXIDE
- S-(2-Propenyl)cysteine sulfoxide
- Alanine, 3-(2-propenylsulfinyl)-
- (R)C(S)S-Alliin
- Alliin; 3-(2-Propenylsulfinyl)-L-Alanin
- 2-amino-3-prop-2-enylsulfinylpropanoic acid
- DTXSID10871763
- 17795-27-6
- LS-13165
- AKOS006327089
- S-Allyl-L-cysteine sulfoxide
- 3-(2-Propen-1-ylsulfinyl)alanine
- 556-27-4
- S-Allyl-DL-cysteineSulfoxide
- SCHEMBL118141
- CHEBI:173816
- (+)-Alliin
- Q139883
- alliumn
- 2-amino-3-prop-2-enylsulinylpropanoic acid
- Alanine, 3-(2-propen-1-ylsulfinyl)-
- Alanine, 3-(allylsulfinyl)-
- L-Alliin
-
- Inchi： 1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)
- InChI Key： XUHLIQGRKRUKPH-UHFFFAOYSA-N
- SMILES： S(CC=C)(CC(C(=O)O)N)=O
Computed Properties
- Exact Mass: 177.046
- Monoisotopic Mass: 177.046
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 181
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 99.6A^2
- XLogP3: -3.5
Experimental Properties
- Color/Form: White to off white crystalline powder
- Density: 1.354
- Melting Point: 165
- Boiling Point: 416.1 °C at 760 mmHg
- Flash Point: 205.5 °C
- Refractive Index: 1.579
- PSA: 99.60000
- LogP: 0.89900
alliin Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| ChromaDex Standards | ASB-00001540-005-5mg |
(±) |
17795-27-6 | % | 5mg |
$117.00 | 2023-10-25 | |
| ChromaDex Standards | ASB-00001540-010-10mg |
(±) |
17795-27-6 | % | 10mg |
$160.00 | 2023-10-25 | |
| ChromaDex Standards | ASB-00001540-025-25mg |
(±) |
17795-27-6 | % | 25mg |
$327.00 | 2023-10-25 | |
| ChromaDex Standards | ASB-00001541-005-5mg |
(±) |
17795-27-6 | % | 5mg |
$96.00 | 2023-10-25 | |
| ChromaDex Standards | ASB-00001541-010-10mg |
(±) |
17795-27-6 | % | 10mg |
$142.00 | 2023-10-25 | |
| ChromaDex Standards | ASB-00001541-025-25mg |
(±) |
17795-27-6 | % | 25mg |
$335.00 | 2023-10-25 |
alliin Related Literature
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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