Cas no 497949-63-0 (1,4,7,10-Tetraoxacyclotridecane-12-carboxylic acid, 12-amino-)
497949-63-0 structure
Product Name:1,4,7,10-Tetraoxacyclotridecane-12-carboxylic acid, 12-amino-
CAS No:497949-63-0
MF:C10H19NO6
MW:249.26096367836
CID:1535063
PubChem ID:12150860
Update Time:2025-04-21
1,4,7,10-Tetraoxacyclotridecane-12-carboxylic acid, 12-amino- Chemical and Physical Properties
Names and Identifiers
-
- 1,4,7,10-Tetraoxacyclotridecane-12-carboxylic acid, 12-amino-
- 12-amino-1,4,7,10-tetraoxacyclotridecane-12-carboxylic acid
- 497949-63-0
- DTXSID20478626
-
- Inchi： 1S/C10H19NO6/c11-10(9(12)13)7-16-5-3-14-1-2-15-4-6-17-8-10/h1-8,11H2,(H,12,13)
- InChI Key： IQUOFRCJFDRNRL-UHFFFAOYSA-N
- SMILES： O1CCOCCOCCOCC(C(=O)O)(C1)N
Computed Properties
- Exact Mass: 249.12127
- Monoisotopic Mass: 249.12123733g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 221
- 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: -4.4
- Topological Polar Surface Area: 100?2
Experimental Properties
- PSA: 100.24
1,4,7,10-Tetraoxacyclotridecane-12-carboxylic acid, 12-amino- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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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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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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