Cas no 39184-60-6 ([(z)-(1-azido-3,3-dimethylbutan-2-ylidene)amino] N-methylcarbamate)
39184-60-6 structure
Product Name:[(z)-(1-azido-3,3-dimethylbutan-2-ylidene)amino] N-methylcarbamate
CAS No:39184-60-6
MF:C8H15N5O2
MW:213.237000703812
CID:1498223
PubChem ID:13180088
Update Time:2025-04-21
[(z)-(1-azido-3,3-dimethylbutan-2-ylidene)amino] N-methylcarbamate Chemical and Physical Properties
Names and Identifiers
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- [(z)-(1-azido-3,3-dimethylbutan-2-ylidene)amino] N-methylcarbamate
- NSC306492
- NSC-306492
- 2-Butanone,3-dimethyl-, O-[(methylamino)carbonyl]oxime
- NSC306492; NSC-306492; 2-Butanone,3-dimethyl-, O-[(methylamino)carbonyl]oxime;
- 39184-60-6
-
- Inchi: 1S/C8H15N5O2/c1-8(2,3)6(5-11-13-9)12-15-7(14)10-4/h5H2,1-4H3,(H,10,14)/b12-6+
- InChI Key: GDAKZNTVUKYZMA-WUXMJOGZSA-N
- SMILES: O(C(NC)=O)/N=C(\CN=[N+]=[N-])/C(C)(C)C
Computed Properties
- Exact Mass: 213.12275
- Monoisotopic Mass: 213.12257474g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 299
- 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: 65?2
Experimental Properties
- PSA: 99.45
- LogP: 1.89846
[(z)-(1-azido-3,3-dimethylbutan-2-ylidene)amino] N-methylcarbamate Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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