Cas no 864246-86-6 (Carbamic acid, [3-(1-azetidinyl)-3-oxopropyl]-, 1,1-dimethylethyl ester)
864246-86-6 structure
Product Name:Carbamic acid, [3-(1-azetidinyl)-3-oxopropyl]-, 1,1-dimethylethyl ester
CAS No:864246-86-6
MF:C11H20N2O3
MW:228.288103103638
CID:1856188
PubChem ID:57677333
Update Time:2025-04-21
Carbamic acid, [3-(1-azetidinyl)-3-oxopropyl]-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
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- Carbamic acid, [3-(1-azetidinyl)-3-oxopropyl]-, 1,1-dimethylethyl ester
- 864246-86-6
- DB-388145
- VORZXHBLIBFACP-UHFFFAOYSA-N
- SCHEMBL13861254
- tert-Butyl (3-azetidin-1yl-3-oxopropyl)carbamate
- tert-butyl (3-(azetidin-1-yl)-3-oxopropyl)carbamate
- tert-butyl (3-azetidin-1-yl-3-oxopropyl)carbamate
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- Inchi: 1S/C11H20N2O3/c1-11(2,3)16-10(15)12-6-5-9(14)13-7-4-8-13/h4-8H2,1-3H3,(H,12,15)
- InChI Key: VORZXHBLIBFACP-UHFFFAOYSA-N
- SMILES: O(C(NCCC(N1CCC1)=O)=O)C(C)(C)C
Computed Properties
- Exact Mass: 228.14739250Da
- Monoisotopic Mass: 228.14739250Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 267
- 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: 0.5
- Topological Polar Surface Area: 58.6?2
Carbamic acid, [3-(1-azetidinyl)-3-oxopropyl]-, 1,1-dimethylethyl ester Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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