Cas no 62722-95-6 (Phenol, 4-(2-aminoethyl)-, hydrate (2:1))
62722-95-6 structure
Product Name:Phenol, 4-(2-aminoethyl)-, hydrate (2:1)
CAS No:62722-95-6
MF:C16H24N2O3
MW:292.373364448547
CID:434086
PubChem ID:71383446
Update Time:2025-04-19
Phenol, 4-(2-aminoethyl)-, hydrate (2:1) Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 4-(2-aminoethyl)-, hydrate (2:1)
- 4-(2-aminoethyl)phenol,hydrate
- 4-(2-Aminoethyl)phenol--water (2/1)
- DTXSID90805763
- 62722-95-6
-
- Inchi： 1S/2C8H11NO.H2O/c2*9-6-5-7-1-3-8(10)4-2-7;/h2*1-4,10H,5-6,9H2;1H2
- InChI Key： IMRRSPNUCYYRGN-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1)CCN.OC1C=CC(=CC=1)CCN.O
Computed Properties
- Exact Mass: 292.17882
- Monoisotopic Mass: 292.17869263g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 87.3
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 93.5?2
Experimental Properties
- PSA: 124
Phenol, 4-(2-aminoethyl)-, hydrate (2:1) Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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