Cas no 143979-27-5 (Carbamic acid,(3-amino-1-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester (9CI))
143979-27-5 structure
Product Name:Carbamic acid,(3-amino-1-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester (9CI)
CAS No:143979-27-5
MF:C9H18N2O3
MW:202.250822544098
CID:108556
PubChem ID:22456448
Update Time:2025-04-18
Carbamic acid,(3-amino-1-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid,(3-amino-1-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester (9CI)
- tert-butyl 1-carbamoylpropan-2-ylcarbamate
- Carbamic acid, (3-amino-1-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester (9CI)
- 143979-27-5
- FT-0740691
- 1,1-Dimethylethyl N-(3-amino-1-methyl-3-oxopropyl)carbamate
- Carbamic acid,(3-amino-1-methyl-3-oxopropyl)-,1,1-dimethylethyl ester(9ci)
- tert-butyl N-(4-amino-4-oxobutan-2-yl)carbamate
- SCHEMBL7872100
- DTXSID501189694
-
- Inchi： 1S/C9H18N2O3/c1-6(5-7(10)12)11-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H2,10,12)(H,11,13)
- InChI Key： RHTSOFOGPVTVGP-UHFFFAOYSA-N
- SMILES： O(C(NC(C)CC(N)=O)=O)C(C)(C)C
Computed Properties
- Exact Mass: 202.13184
- Monoisotopic Mass: 202.132
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 221
- 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
- Topological Polar Surface Area: 81.4A^2
- XLogP3: 0.2
Experimental Properties
- PSA: 81.42
Carbamic acid,(3-amino-1-methyl-3-oxopropyl)-, 1,1-dimethylethyl ester (9CI) Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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