Cas no 1247853-61-7 (1-(Benzyl(2-hydroxyethyl)amino)butan-2-ol)
1247853-61-7 structure
Product Name:1-(Benzyl(2-hydroxyethyl)amino)butan-2-ol
CAS No:1247853-61-7
MF:C13H21NO2
MW:223.31134390831
CID:2191803
PubChem ID:62115652
Update Time:2025-04-21
1-(Benzyl(2-hydroxyethyl)amino)butan-2-ol Chemical and Physical Properties
Names and Identifiers
-
- 1-(Benzyl(2-hydroxyethyl)amino)butan-2-ol
- 1247853-61-7
- SCHEMBL2228445
- DA-13626
- USANZJRBVZUTMC-UHFFFAOYSA-N
- AKOS011395654
-
- Inchi： 1S/C13H21NO2/c1-2-13(16)11-14(8-9-15)10-12-6-4-3-5-7-12/h3-7,13,15-16H,2,8-11H2,1H3
- InChI Key： USANZJRBVZUTMC-UHFFFAOYSA-N
- SMILES： OC(CC)CN(CCO)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 223.15700
- Monoisotopic Mass: 223.157228913Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 169
- 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
- XLogP3: 1.3
- Topological Polar Surface Area: 43.7?2
Experimental Properties
- PSA: 43.70000
- LogP: 1.25180
1-(Benzyl(2-hydroxyethyl)amino)butan-2-ol Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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