Cas no 65899-49-2 ( )
structure
Product Name:
CAS No:65899-49-2
MF:C12H13NO2
MW:203.237123250961
CID:962772
PubChem ID:5384222
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- BENZYL (1E)-1,3-BUTADIENYLCARBAMATE
- benzyl N-[(1E)-buta-1,3-dienyl]carbamate
- (E)-1-(N-Carbobenzyloxyamino)-1,3-butadiene
- 1-(benzyloxycarbonylamino)-1,3-butadiene
- 1-(benzyloxycarbonylamino)buta-1,3-diene
- 1(E)-< (benzyloxycarbonyl)amino> -1,3-butadiene
- AC1NTMRT
- Benzyl 1,3-butadienylcarbamate
- benzyl trans-1,3-butadien-1-yl carbamate
- buta-1,3-dienylcarbamic acid benzyl ester
- NSC314935
- NSC617597
- SBB068836
- trans-N-Cbz-1-amino-1,3-butadiene
- CHEMBL2003061
- DTXSID50419502
- Benzyl 1,3-Butadiene-1-carbamate
- (E)-Benzyl buta-1,3-dien-1-ylcarbamate
- CS-0439109
- NSC-617597
- AKOS015917332
- Benzyl (E)-buta-1,3-dien-1-ylcarbamate
- A835269
- NSC-314935
- SCHEMBL4493046
- 65899-49-2
-
-
- Inchi： 1S/C12H13NO2/c1-2-3-9-13-12(14)15-10-11-7-5-4-6-8-11/h2-9H,1,10H2,(H,13,14)/b9-3+
- InChI Key： LSQDRSXFUSBRBP-YCRREMRBSA-N
- SMILES： O(C(N/C=C/C=C)=O)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 203.09469
- Monoisotopic Mass: 203.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 230
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 38.3?2
Experimental Properties
- PSA: 38.33
- LogP: 3.00340
Related Literature
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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