Cas no 59443-99-1 (Phenol, 3-(ethylpropylamino)-)
Phenol, 3-(ethylpropylamino)- structure
Product Name:Phenol, 3-(ethylpropylamino)-
CAS No:59443-99-1
MF:C11H17NO
MW:179.258783102036
CID:338646
PubChem ID:20218134
Update Time:2025-04-19
Phenol, 3-(ethylpropylamino)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 3-(ethylpropylamino)-
- 3-[ethyl(propyl)amino]phenol
- DTXSID00603732
- 59443-99-1
- SCHEMBL10782495
-
- Inchi： 1S/C11H17NO/c1-3-8-12(4-2)10-6-5-7-11(13)9-10/h5-7,9,13H,3-4,8H2,1-2H3
- InChI Key： KTISFKAJXVJAEF-UHFFFAOYSA-N
- SMILES： OC1=CC=CC(=C1)N(CC)CCC
Computed Properties
- Exact Mass: 179.13111
- Monoisotopic Mass: 179.131014166g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 138
- 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: 3
- Topological Polar Surface Area: 23.5?2
Experimental Properties
- PSA: 23.47
Phenol, 3-(ethylpropylamino)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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