Cas no 445471-65-8 (ST039075)
ST039075 structure
Product Name:ST039075
CAS No:445471-65-8
MF:C12H19NO3
MW:225.284163713455
CID:2643470
PubChem ID:560296
Update Time:2025-04-21
ST039075 Chemical and Physical Properties
Names and Identifiers
-
- 1-(3-hydroxypropylamino)-3-phenoxypropan-2-ol
- 1-[(3-HYDROXYPROPYL)AMINO]-3-PHENOXYPROPAN-2-OL
- SCHEMBL21775559
- DTXCID80291035
- STK678458
- 3-[(2-Hydroxy-3-phenoxypropyl)amino]-1-propanol #
- DTXSID10339954
- 445471-65-8
- 3-[(2-hydroxy-3-phenoxypropyl)amino]propan-1-ol
- MSQWBLUPIPSXPC-UHFFFAOYSA-N
- SR-01000537890
- CHEMBL4542969
- ST039075
- AKOS005361119
- 3-(2-Hydroxy-3-phenoxy-propylamino)-propan-1-ol
- SR-01000537890-1
-
- Inchi： 1S/C12H19NO3/c14-8-4-7-13-9-11(15)10-16-12-5-2-1-3-6-12/h1-3,5-6,11,13-15H,4,7-10H2
- InChI Key： MSQWBLUPIPSXPC-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)CC(CNCCCO)O
Computed Properties
- Exact Mass: 225.13649347Da
- Monoisotopic Mass: 225.13649347Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 8
- Complexity: 160
- 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
- XLogP3: 0.6
- Topological Polar Surface Area: 61.7?2
ST039075 Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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