Cas no 724445-95-8 (Carbamic acid,N-(1-cyano-5-hydroxypentyl)-N-methyl-, 1,1-dimethylethyl ester)
724445-95-8 structure
Product Name:Carbamic acid,N-(1-cyano-5-hydroxypentyl)-N-methyl-, 1,1-dimethylethyl ester
CAS No:724445-95-8
MF:C12H22N2O3
MW:242.314683437347
CID:558613
PubChem ID:56604959
Update Time:2025-04-19
Carbamic acid,N-(1-cyano-5-hydroxypentyl)-N-methyl-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid,N-(1-cyano-5-hydroxypentyl)-N-methyl-, 1,1-dimethylethyl ester
- 1,1-dimethylethyl ester
- tert-butyl N-(1-cyano-5-hydroxypentyl)-N-methylcarbamate
- CAR004
- 724445-95-8
- SCHEMBL12529362
- DTXSID80717866
- tert-Butyl (1-cyano-5-hydroxypentyl)methylcarbamate
- FT-0711785
-
- Inchi： 1S/C12H22N2O3/c1-12(2,3)17-11(16)14(4)10(9-13)7-5-6-8-15/h10,15H,5-8H2,1-4H3
- InChI Key： WWXILGKOKLUERN-UHFFFAOYSA-N
- SMILES： O(C(N(C)C(C#N)CCCCO)=O)C(C)(C)C
Computed Properties
- Exact Mass: 169.06100
- Monoisotopic Mass: 242.16304257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 288
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.3
- Topological Polar Surface Area: 73.6?2
Experimental Properties
- PSA: 75.63000
- LogP: 1.18390
Carbamic acid,N-(1-cyano-5-hydroxypentyl)-N-methyl-, 1,1-dimethylethyl ester Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
724445-95-8 (Carbamic acid,N-(1-cyano-5-hydroxypentyl)-N-methyl-, 1,1-dimethylethyl ester) Related Products
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