Cas no 51318-82-2 ( )
structure
Product Name:
CAS No:51318-82-2
MF:C17H21NO6
MW:335.35174536705
CID:935172
PubChem ID:314878
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 3,5-dimethoxy-4-(3,4,5-trimethoxyphenoxy)aniline
- AC1L7QI9
- NSC235171
- NSC-235171
- 51318-82-2
- DTXSID40310998
-
-
- Inchi: 1S/C17H21NO6/c1-19-12-6-10(18)7-13(20-2)17(12)24-11-8-14(21-3)16(23-5)15(9-11)22-4/h6-9H,18H2,1-5H3
- InChI Key: NIQCJOZZIBCXDF-UHFFFAOYSA-N
- SMILES: O(C1C=C(C(=C(C=1)OC)OC)OC)C1C(=CC(=CC=1OC)N)OC
Computed Properties
- Exact Mass: 335.13693
- Monoisotopic Mass: 335.13688739g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 24
- Rotatable Bond Count: 7
- Complexity: 343
- 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: 2.6
- Topological Polar Surface Area: 81.4?2
Experimental Properties
- PSA: 81.4
- LogP: 3.68530
Related Literature
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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