Cas no 65929-04-6 (1,3-Propanediol,2-amino-, mono(dihydrogen phosphate) (ester) (9CI))
65929-04-6 structure
Product Name:1,3-Propanediol,2-amino-, mono(dihydrogen phosphate) (ester) (9CI)
CAS No:65929-04-6
MF:C3H10NO5P
MW:171.088962078094
CID:521454
Update Time:2025-04-19
1,3-Propanediol,2-amino-, mono(dihydrogen phosphate) (ester) (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,2-amino-, mono(dihydrogen phosphate) (ester) (9CI)
- (2-amino-3-hydroxypropyl) dihydrogen phosphate
- 2-amino-1,3-propanediol-3-phosphate
-
- Inchi： 1S/C3H10NO5P/c4-3(1-5)2-9-10(6,7)8/h3,5H,1-2,4H2,(H2,6,7,8)
- InChI Key： WDWYJNPKBKWDBL-UHFFFAOYSA-N
- SMILES： NC(COP(=O)(O)O)CO
Computed Properties
- Exact Mass: 171.0297
- Monoisotopic Mass: 171.03
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 133
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
Experimental Properties
- Density: 1.627
- Boiling Point: 454.7°C at 760 mmHg
- Flash Point: 228.8°C
- Refractive Index: 1.533
- PSA: 113.01
- LogP: -0.88440
1,3-Propanediol,2-amino-, mono(dihydrogen phosphate) (ester) (9CI) Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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