Cas no 802862-53-9 (1,3-Benzenediol,5-(2-aminoethyl)-2-propoxy-)
802862-53-9 structure
Product Name:1,3-Benzenediol,5-(2-aminoethyl)-2-propoxy-
CAS No:802862-53-9
MF:C11H17NO3
MW:211.257583379745
CID:713931
PubChem ID:45093201
Update Time:2025-04-19
1,3-Benzenediol,5-(2-aminoethyl)-2-propoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediol,5-(2-aminoethyl)-2-propoxy-
- Resorcinol, 5-(2-aminoethyl)-2-propoxy- (8CI)
- resorcinol, 5-(2-aminoethyl)-2-propoxy-
- AKOS027416623
- 802862-53-9
- Resorcinol,5-(2-aminoethyl)-2-propoxy-(8ci)
-
- Inchi： 1S/C11H17NO3/c1-2-5-15-11-9(13)6-8(3-4-12)7-10(11)14/h6-7,13-14H,2-5,12H2,1H3
- InChI Key： BOYKQYDSSANGNA-UHFFFAOYSA-N
- SMILES： O(CCC)C1C(=CC(=CC=1O)CCN)O
Computed Properties
- Exact Mass: 211.121
- Monoisotopic Mass: 211.121
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 165
- 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: 1
- Topological Polar Surface Area: 75.7A^2
1,3-Benzenediol,5-(2-aminoethyl)-2-propoxy- Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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