Cas no 25384-47-8 (Carbamic acid,isopropyl-, 2-(hydroxymethyl)-2,3-dimethylpentyl ester (6CI,8CI))
25384-47-8 structure
Product Name:Carbamic acid,isopropyl-, 2-(hydroxymethyl)-2,3-dimethylpentyl ester (6CI,8CI)
CAS No:25384-47-8
MF:C12H25NO3
MW:231.331804037094
CID:255563
PubChem ID:212906
Update Time:2025-04-19
Carbamic acid,isopropyl-, 2-(hydroxymethyl)-2,3-dimethylpentyl ester (6CI,8CI) Chemical and Physical Properties
Names and Identifiers
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- Carbamic acid,isopropyl-, 2-(hydroxymethyl)-2,3-dimethylpentyl ester (6CI,8CI)
- [2-(hydroxymethyl)-2,3-dimethylpentyl] N-propan-2-ylcarbamate
- [2-(hydroxymethyl)-2, 3-dimethylpentyl] N-propan-2-ylcarbamate
- Isopropylcarbamic acid 2-(hydroxymethyl)-2,3-dimethylpentyl ester
- 2-(Hydroxymethyl)-2,3-dimethylpentyl isopropylcarbamate
- Carbamic acid, isopropyl-, 2-(hydroxymethyl)-2,3-dimethylpentyl ester
- BRN 3048585
- 2-(Hydroxymethyl)-2,3-dimethylpentyl hydrogen propan-2-ylcarbonimidate
- DTXSID40948230
- 25384-47-8
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- Inchi： 1S/C12H25NO3/c1-6-10(4)12(5,7-14)8-16-11(15)13-9(2)3/h9-10,14H,6-8H2,1-5H3,(H,13,15)
- InChI Key： VBLCEXPSCQTKLT-UHFFFAOYSA-N
- SMILES： O(C(NC(C)C)=O)CC(C)(CO)C(C)CC
Computed Properties
- Exact Mass: 231.18355
- Monoisotopic Mass: 231.18344366g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 218
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 58.6?2
Experimental Properties
- PSA: 58.56
Carbamic acid,isopropyl-, 2-(hydroxymethyl)-2,3-dimethylpentyl ester (6CI,8CI) Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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