Cas no 958852-81-8 (3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 9-butyl-, 1,1-dimethylethyl ester)
![3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 9-butyl-, 1,1-dimethylethyl ester structure](https://ossimg.kuujia.com/scimg/959000/958852-81-8x500.png)
958852-81-8 structure
Product Name:3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 9-butyl-, 1,1-dimethylethyl ester
CAS No:958852-81-8
MF:C18H34N2O2
MW:310.474765300751
CID:832205
PubChem ID:66661375
Update Time:2025-04-19
3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 9-butyl-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 9-butyl-, 1,1-dimethylethyl ester
- 9-butyl-3,9-Diazaspiro[5.5]undecane-3-carboxylic acid 1,1-dimethylethyl ester
- 958852-81-8
- 3,9-Diazaspiro[5.5]undecane-3-carboxylic acid,9-butyl-,1,1-dimethylethyl ester
- SCHEMBL347439
- tert-butyl 9-butyl-3,9-diazaspiro[5.5]undecane-3-carboxylate
- AYAZWWYHDVVGAJ-UHFFFAOYSA-N
-
- Inchi： 1S/C18H34N2O2/c1-5-6-11-19-12-7-18(8-13-19)9-14-20(15-10-18)16(21)22-17(2,3)4/h5-15H2,1-4H3
- InChI Key： AYAZWWYHDVVGAJ-UHFFFAOYSA-N
- SMILES： O(C(C)(C)C)C(N1CCC2(CC1)CCN(CCCC)CC2)=O
Computed Properties
- Exact Mass: 310.26200
- Monoisotopic Mass: 310.262028332g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 6
- Complexity: 358
- 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: 3.5
- Topological Polar Surface Area: 32.8?2
Experimental Properties
- Density: 1.02
- Boiling Point: 395.7°C at 760 mmHg
- Flash Point: 193.1°C
- Refractive Index: 1.509
- PSA: 32.78000
- LogP: 3.77540
3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 9-butyl-, 1,1-dimethylethyl ester Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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