Cas no 537698-87-6 (Carbamic acid, [(3-methylphenyl)methyl]-, methyl ester (9CI))
![Carbamic acid, [(3-methylphenyl)methyl]-, methyl ester (9CI) structure](https://ossimg.kuujia.com/scimg/538000/537698-87-6x500.png)
537698-87-6 structure
Product Name:Carbamic acid, [(3-methylphenyl)methyl]-, methyl ester (9CI)
CAS No:537698-87-6
MF:C10H13NO2
MW:179.215722799301
CID:939115
PubChem ID:20785631
Update Time:2025-04-19
Carbamic acid, [(3-methylphenyl)methyl]-, methyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid, [(3-methylphenyl)methyl]-, methyl ester (9CI)
- methyl N-[(3-methylphenyl)methyl]carbamate
- Methyl [(3-methylphenyl)methyl]carbamate
- 537698-87-6
- SCHEMBL8257957
- Carbamic acid,[(3-methylphenyl)methyl]-,methyl ester(9ci)
- DTXSID40609793
-
- Inchi： 1S/C10H13NO2/c1-8-4-3-5-9(6-8)7-11-10(12)13-2/h3-6H,7H2,1-2H3,(H,11,12)
- InChI Key： DJFYJDARRSPMLB-UHFFFAOYSA-N
- SMILES： O(C)C(NCC1C=CC=C(C)C=1)=O
Computed Properties
- Exact Mass: 179.094628657g/mol
- Monoisotopic Mass: 179.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 170
- 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: 1.8
- Topological Polar Surface Area: 38.3?2
Carbamic acid, [(3-methylphenyl)methyl]-, methyl ester (9CI) Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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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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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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