Cas no 31352-45-1 (4,5''-diaminodibenzo-18-crown-6)
31352-45-1 structure
Product Name:4,5''-diaminodibenzo-18-crown-6
CAS No:31352-45-1
MF:C24H34N2O8
MW:478.535367488861
CID:916494
PubChem ID:10964109
Update Time:2025-04-19
4,5''-diaminodibenzo-18-crown-6 Chemical and Physical Properties
Names and Identifiers
-
- 4,5''-diaminodibenzo-18-crown-6
- 4,5'-diaminodibenzo-18-crown-6 ether
- 31352-45-1
- 2,5,8,11,18,21,24,27-Octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene-14,31-diamine
- 4,5''-DIAMINODIBENZO-18-CROWN-6 (CATALOG # 1216B)
-
- Inchi： 1S/C24H34N2O8/c25-19-1-3-21-23(17-19)33-15-11-29-7-8-30-12-16-34-24-18-20(26)2-4-22(24)32-14-10-28-6-5-27-9-13-31-21/h1-4,17-18H,5-16,25-26H2
- InChI Key： LXJBWRBSUWGRTH-UHFFFAOYSA-N
- SMILES： O1CCOCCOCCOC2C=C(C=CC=2OCCOCCOCCOC2C=CC(=CC1=2)N)N
Computed Properties
- Exact Mass: 478.23151605g/mol
- Monoisotopic Mass: 478.23151605g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 34
- Rotatable Bond Count: 0
- Complexity: 473
- 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: 0.7
- Topological Polar Surface Area: 126?2
4,5''-diaminodibenzo-18-crown-6 Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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