1,3-二乙基-1,3-二苯脲 | 85-98-3
中文名称:
1,3-二乙基-1,3-二苯脲
英文名称:
1,3-Diethyl-1,3-diphenylurea
CAS No.:
85-98-3
分子式:
C1 7 H2 0 N2 O
分子量:
268.353504180908
名称和标识符
MDL
MFCD00035794
InChIKey
PZIMIYVOZBTARW-UHFFFAOYSA-N
Inchi
1S/C17H20N2O/c1-3-18(15-11-7-5-8-12-15)17(20)19(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
SMILES
O=C(N(CC)C1C=CC=CC=1)N(CC)C1C=CC=CC=1
别名信息
- 中文别名 -
1,3-二乙基-1,3-二苯脲
1,3-二乙基-1,3-二苯基脲
N,N''-二乙基二苯脲
N,N'-二乙基二苯脲
N,N-二乙基二苯脲
- 英文别名 -
1,3-Diethyl-1,3-diphenylurea
1,3-diethyldiphenylurea
Ethylcentralite
N,N'-Diethylcarbanilide
Carbamite
Centralite
Centralite I
Centralite-1
diethyldiphenylcarbamide
N,N'-diethyl-N,N'-diphenylurea
s-Diethyldiphenylurea
PZIMIYVOZBTARW-UHFFFAOYSA-N
DTXSID8025040
SMR001370912
NSC-44038
85-98-3
N,N'-Diethyl-N,N'-diphenylurea
1,3-diethyldiphenylurinstof
1,3-diethyl-1,3-diphenyl-urea
1,3-diethyl-1,3-di(phenyl)urea
NCGC00257923-01
Ethyl centralite
Centralite 1
Urea, 1,3-diethyl-1,3-diphenyl-
Bis-(N-ethyl-N-fenyl)mocovina
CCRIS 4618
MFCD00035794
N,N'-DIETHYLCARBANILIDE [MI]
NSC 44038
NCGC00091392-02
N,N'-Diethyldiphenylurea
PZIMIYVOZBTARW-UHFFFAOYSA-
AS-59399
LS-1850
N,N'-Diphenyl-N,N'-diethylurea
NSC28779
Carbanilide,N'-diethyl-
1,3-Diethyl-1,3-difenylmocovina
Urea,3-diethyl-1,3-diphenyl-
InChI=1/C17H20N2O/c1-3-18(15-11-7-5-8-12-15)17(20)19(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
Diethylcarbanilide
MLS002415749
AI3-01942
1,3-Diethyldiphenylurea
DTXCID705040
SCHEMBL263716
D0485
4169Z9SDJG
Centralite1
1,3-Diethyl-1,3-diphenylurea, 99%
NSC44038
CHEMBL1566472
NCGC00091392-01
EC 201-645-2
BRN 2751977
Tox21_200369
USAF EK-1047
D70352
N,N/'-Diethylcarbanilide
N,N-Diethylcarbanilide
Urea, N,N'-diethyl-N,N'-diphenyl-
Bis-(N-ethyl-N-fenyl)mocovina [Czech]
HMS3039F11
CAS-85-98-3
Q5062193
1,3-Diethyl-1,3-difenylmocovina [Czech]
W-104072
CS-W010105
Bis(N-ethyl-N-phenyl)urea
sym-Diethyldiphenylurea
AKOS015913312
EINECS 201-645-2
1,3-Diethylcarbanilide
Carbanilide, N,N'-diethyl-
UNII-4169Z9SDJG
FT-0623546
Urea,N'-diethyl-N,N'-diphenyl-
NSC-28779
WLN: 2NR&VN2&R
Carbanilide, N,N′-diethyl- (7CI, 8CI)
Centralite 1 (6CI)
N,N′-Diethyl-N,N′-diphenylurea (ACI)
N,N′-Diethylcarbanilide
NSC 28779
物化性质
实验特性
LogP
4.15940
PSA
23.55000
Merck
13,3144
折射率
1.5486 (estimate)
沸点
411.52°C (rough estimate)
熔点
73-75 °C (lit.)
闪点
华氏:302 °F 摄氏:150 °C
溶解度
acetone: soluble(lit.)
颜色与性状
白色结晶。有辛辣气味
稳定性
Shock sensitive.
溶解性
溶于有机溶剂,不溶于水
密度
1.0208 (rough estimate)
计算特性
精确分子量
268.15800
氢键供体数量
0
氢键受体数量
3
可旋转化学键数量
6
同位素质量
268.157563266g/mol
重原子数量
20
复杂度
265
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
3.6
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
23.6Ų
相关文献
1.
The ultra-violet absorption and chemical constitution of substituted ureas and thioureas
Archibald Clow,N. L. Helmrich Trans. Faraday Soc. 1940 35 685
2.
Analysis of ethyl and methyl centralite vibrational spectra for mapping organic gunshot residues
Jianbo Zeng,Ji Qi,Fuquan Bai,Jorn Chi Chung Yu,Wei-Chuan Shih Analyst 2014 139 4270
3.
Detection of N,N′-diphenyl-N,N′-diethylurea (ethyl centralite) in gunshot residues using high-performance liquid chromatography with fluorescence detection
Hsien-hui Meng,Brian Caddy Analyst 1995 120 1759
4.
Detection of firearm discharge residue from skin swabs using trapped ion mobility spectrometry coupled to mass spectrometry
Alan McKenzie-Coe,Suzanne Bell,Francisco Fernandez-Lima Anal. Methods 2018 10 4219
5.
A molecular dynamics study of plasticiser migration in nitrocellulose binders
Lisa A. Richards,Anthony Nash,Maximillian Joshua Sebastian Phipps,Nora H. de Leeuw New J. Chem. 2018 42 17420
6.
Mapping explosive residues on galvanized pipe bomb fragments using total vaporization solid phase microextraction (TV-SPME)
Dana Bors,John Goodpaster Anal. Methods 2015 7 9756
7.
Detection of organic and inorganic gunshot residues from hands using complexing agents and LC-MS/MS
William Feeney,Korina Menking-Hoggatt,Courtney Vander Pyl,Colby E. Ott,Suzanne Bell,Luis Arroyo,Tatiana Trejos Anal. Methods 2021 13 3024
8.
HPLC detection of organic gunshot residues collected with silicone wristbands
Yelyzaveta Zuy,Samantha O. Sweck,Christopher R. Dockery,Gretchen E. Potts Anal. Methods 2020 12 85
9.
A novel method for the identification of inorganic and organic gunshot residue particles of lead-free ammunitions from the hands of shooters using scanning laser ablation-ICPMS and Raman micro-spectroscopy
Zuri?e Abrego,Nagore Grijalba,Nora Unceta,Maite Maguregui,Alicia Sanchez,Alberto Fernández-Isla,M. Aranzazu Goicolea,Ramón J. Barrio Analyst 2014 139 6232
10.
Characterization of firearm discharge residues recovered from skin swabs using sub-micrometric mass spectrometry imaging
Anthony Castellanos,Suzanne Bell,Francisco Fernandez-Lima Anal. Methods 2016 8 4300
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