Cas no 3506-32-9 (1,2-Benzenediol,4-[2-[(1-methylethyl)amino]ethyl]-)
3506-32-9 structure
Product Name:1,2-Benzenediol,4-[2-[(1-methylethyl)amino]ethyl]-
CAS No:3506-32-9
MF:C11H17NO2
MW:195.258183240891
CID:314016
PubChem ID:151105
Update Time:2025-04-19
1,2-Benzenediol,4-[2-[(1-methylethyl)amino]ethyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediol,4-[2-[(1-methylethyl)amino]ethyl]-
- 4-[2-(propan-2-ylamino)ethyl]benzene-1,2-diol
- 1,2-Benzenediol, 4-(2-((1-methylethyl)amino)ethyl)-
- DTXSID90188563
- 3506-32-9
- 1,2-Benzenediol, 4-[2-[(1-methylethyl)amino]ethyl]-
- N-Isopropyldopamine
- SCHEMBL3269173
- SCHEMBL9132392
-
- Inchi: 1S/C11H17NO2/c1-8(2)12-6-5-9-3-4-10(13)11(14)7-9/h3-4,7-8,12-14H,5-6H2,1-2H3
- InChI Key: BZRDLWPJCCLNCX-UHFFFAOYSA-N
- SMILES: OC1=C(C=CC(=C1)CCNC(C)C)O
Computed Properties
- Exact Mass: 231.102607
- Monoisotopic Mass: 231.102607
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 161
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52.5
- XLogP3: 0.3
Experimental Properties
- Density: 1.098
- Boiling Point: 345.5°Cat760mmHg
- Flash Point: 135.5°C
1,2-Benzenediol,4-[2-[(1-methylethyl)amino]ethyl]- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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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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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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