Cas no 36846-64-7 (4-Imidazolidinehexanoicacid, a,5-dimethyl-2-oxo- (9CI))
36846-64-7 structure
Product Name:4-Imidazolidinehexanoicacid, a,5-dimethyl-2-oxo- (9CI)
CAS No:36846-64-7
MF:C11H20N2O3
MW:228.288103103638
CID:315116
PubChem ID:169822
Update Time:2024-02-29
4-Imidazolidinehexanoicacid, a,5-dimethyl-2-oxo- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 4-Imidazolidinehexanoicacid, a,5-dimethyl-2-oxo- (9CI)
- alpha-methyldethiobiotin
- 4-Imidazolidinehexanoic acid, alpha,5-dimethyl-2-oxo-
- 4-Imidazolidinehexanoic acid, α,5-dimethyl-2-oxo- (9CI)
- Biotin, .alpha.-methyldethio-
- 31602-99-0
- DTXSID70276598
- DTXSID40958051
- 6-(2-Hydroxy-4-methyl-4,5-dihydro-1H-imidazol-5-yl)-2-methylhexanoic acid
- 2-methyl-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoic acid
- CHEBI:224506
- .alpha.-Dethiobiotin
- .alpha.-Methyldethiobiotin
- BIOTIN, ALPHA
- NSC116327
- .alpha.,5-Dimethyl-2-oxo-4-imidazolinehexanoic acid
- NSC-116327
-
- Inchi： 1S/C11H20N2O3/c1-7(10(14)15)5-3-4-6-9-8(2)12-11(16)13-9/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)
- InChI Key： DSLSWBIYQALLJM-UHFFFAOYSA-N
- SMILES： C(C1NC(=O)NC1C)CCCC(C)C(=O)O
Computed Properties
- Exact Mass: 228.14739250g/mol
- Monoisotopic Mass: 228.14739250g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 268
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 78.4?2
Experimental Properties
- Density: 1.074±0.06 g/cm3(Predicted)
- Boiling Point: 473.0±18.0 °C(Predicted)
- pka: 4.81±0.21(Predicted)
4-Imidazolidinehexanoicacid, a,5-dimethyl-2-oxo- (9CI) Related Literature
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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