Cas no 66800-53-1 (Butanamide, N-[2-(4-hydroxyphenyl)ethyl]-)
66800-53-1 structure
Product Name:Butanamide, N-[2-(4-hydroxyphenyl)ethyl]-
CAS No:66800-53-1
MF:C12H17NO2
MW:207.268883466721
CID:395751
PubChem ID:17949580
Update Time:2025-04-19
Butanamide, N-[2-(4-hydroxyphenyl)ethyl]- Chemical and Physical Properties
Names and Identifiers
-
- Butanamide, N-[2-(4-hydroxyphenyl)ethyl]-
- N-[2-(4-hydroxyphenyl)ethyl]butanamide
- N-butanoyltyramine
- SCHEMBL2724897
- AKOS010245707
- CHEBI:166900
- 66800-53-1
- DTXSID40591700
-
- Inchi: 1S/C12H17NO2/c1-2-3-12(15)13-9-8-10-4-6-11(14)7-5-10/h4-7,14H,2-3,8-9H2,1H3,(H,13,15)
- InChI Key: UCELBUIXQQYTKJ-UHFFFAOYSA-N
- SMILES: O=C(CCC)NCCC1C=CC(=CC=1)O
Computed Properties
- Exact Mass: 207.12601
- Monoisotopic Mass: 207.125928785g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 186
- 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: 2
- Topological Polar Surface Area: 49.3?2
Experimental Properties
- PSA: 49.33
Butanamide, N-[2-(4-hydroxyphenyl)ethyl]- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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