Cas no 141614-05-3 (Ethanol,2-(2,4-diamino-5-methylphenoxy)-)
141614-05-3 structure
Product Name:Ethanol,2-(2,4-diamino-5-methylphenoxy)-
CAS No:141614-05-3
MF:C9H14N2O2
MW:182.219662189484
CID:101482
Update Time:2026-05-14
Ethanol,2-(2,4-diamino-5-methylphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanol,2-(2,4-diamino-5-methylphenoxy)-
- 1-(2,4-diamino-5-methylphenoxy)ethanol
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- Inchi： InChI=1S/C9H14N2O2/c1-5-3-9(13-6(2)12)8(11)4-7(5)10/h3-4,6,12H,10-11H2,1-2H3
- InChI Key： FLLUGYZLYWNKPW-UHFFFAOYSA-N
- SMILES： CC(OC1=CC(C)=C(N)C=C1N)O
Computed Properties
- Exact Mass: 182.10562
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 166
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 0.7
Experimental Properties
- PSA: 81.5
Ethanol,2-(2,4-diamino-5-methylphenoxy)- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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