Cas no 285138-84-3 (1,3-Propanediol-2-13C(9CI))
1,3-Propanediol-2-13C(9CI) structure
Product Name:1,3-Propanediol-2-13C(9CI)
CAS No:285138-84-3
MF:C3H8O2
MW:77.0870761871338
CID:248516
PubChem ID:16213502
Update Time:2025-04-19
1,3-Propanediol-2-13C(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol-2-13C(9CI)
- 1,3-PROPANEDIOL, [2-13C]
- propane-1,3-diol
- 1,3-Propanediol-2-13C
- (2-~13~C)Propane-1,3-diol
- (213C)propane-1,3-diol
- 285138-84-3
- DTXSID70583996
- 1,3-Propanediol-2-13C, 99 atom % 13C
-
- Inchi： 1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2/i1+1
- InChI Key： YPFDHNVEDLHUCE-OUBTZVSYSA-N
- SMILES： OC[13CH2]CO
Computed Properties
- Exact Mass: 77.055784329g/mol
- Monoisotopic Mass: 77.055784329g/mol
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 5
- Rotatable Bond Count: 2
- Complexity: 12.4
- 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: -1
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 1.067?g/mL?at 25?°C
- Melting Point: ?27?°C(lit.)
- Boiling Point: 214?°C(lit.)
- Flash Point: 175?°F
- Refractive Index: n20/D 1.44(lit.)
- PSA: 40.46000
- LogP: -0.63890
1,3-Propanediol-2-13C(9CI) Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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