Cas no 82860-53-5 (2-hydroxy-N,N-di(propan-2-yl)benzamide,Canonical)
82860-53-5 structure
Product Name:2-hydroxy-N,N-di(propan-2-yl)benzamide,Canonical
CAS No:82860-53-5
MF:C13H19NO2
MW:221.29546380043
CID:988258
PubChem ID:225364
Update Time:2025-04-20
2-hydroxy-N,N-di(propan-2-yl)benzamide,Canonical Chemical and Physical Properties
Names and Identifiers
-
- 2-hydroxy-N,N-di(propan-2-yl)benzamide,Canonical
- 2-hydroxy-N,N-diisopropylbenzamide
- N,N-diisopropyl-2-hydroxybenzamide
- 2-hydroxy-N,N-di(propan-2-yl)benzamide
- DTXSID301002971
- 82860-53-5
- 2-hydroxy-N,N-bis(1-methylethyl)benzamide
- YEOPIHMFSMEJPH-UHFFFAOYSA-N
- NSC14620
- NSC-14620
-
- Inchi: 1S/C13H19NO2/c1-9(2)14(10(3)4)13(16)11-7-5-6-8-12(11)15/h5-10,15H,1-4H3
- InChI Key: YEOPIHMFSMEJPH-UHFFFAOYSA-N
- SMILES: O=C(C1C=CC=CC=1O)N(C(C)C)C(C)C
Computed Properties
- Exact Mass: 221.14200
- Monoisotopic Mass: 221.141578849g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 230
- 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: 40.5?2
Experimental Properties
- PSA: 40.54000
- LogP: 2.65120
2-hydroxy-N,N-di(propan-2-yl)benzamide,Canonical Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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