Cas no 391678-52-7 (Carbamic acid,N-[1,1-bis(hydroxymethyl)propyl]-, 1,1-dimethylethyl ester)
![Carbamic acid,N-[1,1-bis(hydroxymethyl)propyl]-, 1,1-dimethylethyl ester structure](https://ossimg.kuujia.com/scimg/392000/391678-52-7x500.png)
391678-52-7 structure
Product Name:Carbamic acid,N-[1,1-bis(hydroxymethyl)propyl]-, 1,1-dimethylethyl ester
CAS No:391678-52-7
MF:C10H21NO4
MW:219.27804350853
CID:299209
Update Time:2024-01-27
Carbamic acid,N-[1,1-bis(hydroxymethyl)propyl]-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid,N-[1,1-bis(hydroxymethyl)propyl]-, 1,1-dimethylethyl ester
- 2-Methyl-2-propanyl [1-hydroxy-2-(hydroxymethyl)-2-butanyl]carbam ate
- [1,1-bis(hydroxymethyl)propyl]carbamic acid t-butyl ester
- 2-(tert-butoxycarbonyl)-6-hydroxy-1,2,3,4-tetrahydro-1-isoquinolinecarboxylic acid
- 2-(tert-butoxycarbonyl)-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
- 2-Boc-6-Hydroxy-1,2,3,4-tetrahydro-isoquinoline-1-carboxylic acid
- 2-boc-6-hydroxy-3,4-dihydro-1h-isoquinoline-1-carboxylic acid
- 2-tert-butoxycarbonylamino-2-ethyl-1,3-propanediol
- PubChem19782
- SureCN3069653
- Carbamic acid, [1,1-bis(hydroxymethyl)propyl]-, 1,1-dimethylethyl ester (9CI)
- Carbamic acid, N-[1,1-bis(hydroxymethyl)propyl]-, 1,1-dimethylethyl ester
-
- Inchi： 1S/C10H21NO4/c1-5-10(6-12,7-13)11-8(14)15-9(2,3)4/h12-13H,5-7H2,1-4H3,(H,11,14)
- InChI Key： GSOIIRXONPJTAK-UHFFFAOYSA-N
- SMILES： C(OC(C)(C)C)(=O)NC(CO)(CO)CC
Computed Properties
- Exact Mass: 219.147
- Monoisotopic Mass: 219.147
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 206
- 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
- Topological Polar Surface Area: 78.8A^2
Experimental Properties
- Density: 1.090±0.06 g/cm3(Predicted)
- Melting Point: 80-84 °C
- Boiling Point: 378.8±32.0 °C(Predicted)
- PSA: 82.28000
- LogP: 0.84890
- pka: 11.39±0.46(Predicted)
Carbamic acid,N-[1,1-bis(hydroxymethyl)propyl]-, 1,1-dimethylethyl ester Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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