5-氰基尿嘧啶 | 4425-56-3
中文名称:
5-氰基尿嘧啶
英文名称:
2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CAS No.:
4425-56-3
分子式:
C5 H3 N3 O2
分子量:
137.0962
名称和标识符
MDL
MFCD00128255
InChIKey
HAUXRJCZDHHADG-UHFFFAOYSA-N
Inchi
1S/C5H3N3O2/c6-1-3-2-7-5(10)8-4(3)9/h2H,(H2,7,8,9,10)
SMILES
O=C1C(C#N)=C([H])N([H])C(N1[H])=O
别名信息
- 中文别名 -
5-氰基尿嘧啶
2,4-二羟基-5-嘧啶甲腈
2,4-二甲氧 基5-嘧啶甲醛
5-氰基尿嘧啶及合成技术
5-氰基吲哚
5-氰基脲嘧啶
2,4-二氧代-1,2,3,4-四氢嘧啶-5-甲腈
- 英文别名 -
2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
2,4-Dihydroxy-5-pyrimidinecarbonitrile
2,4-Dioxo-1H-pyrimidine-5-carbonitrile
1,2,3,4-tetrahydro-2,4-dioxo-5-Pyrimidinecarbonitrile
2,4-Dihydroxypyrimidine-5-carbonitrile
5-Cyanouracil
5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-2,4-dioxo-
NSC667760
5-cyano-2,4(1H,3H)-Pyrimidinedione
5-Cyano uracil
NSC12931
PubChem14994
2,4-Dihydroxy-pyrimidine-5-carbonitrile
5-Cyanouracil, AldrichCPR
KSC588A4T
2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
HAUXRJCZDHHADG-UHFFFAOYSA-N
A7030
AKOS006221480
TS-00031
4425-56-3
SCHEMBL189451
FT-0620353
DTXSID70196080
EN300-85846
CHEMBL443038
FT-0649990
SB57731
NSC 12931
4,4'-Methylenebis(2-(hydroxymethyl)phenol)
BDBM50124205
SCHEMBL20630523
2,4-dihydroxypyrimidine-5-carbonitrile
Z1201618232
NSC-12931
AM20100146
J-517427
2,4-dioxo-1H-pyrimidine-5-carbonitrile
NSC44192
5-cyano-6-aryl-2-thiouracil
MFCD00051958
5428-41-1
SY006044
CS-W002248
5-cyano-2,4-dihydroxy pyrimidine
NSC 44192
NSC-667760
PS-5544
AKOS005207152
C3542
AKOS015856573
2 pound not4-Dioxo-1 pound not2 pound not3 pound not4-tetrahydropyrimidine-5-carbonitrile
NSC-44192
InChI=1/C5H3N3O2/c6-1-3-2-7-5(10)8-4(3)9/h2H,(H2,7,8,9,10
AC-7400
2,4-Dioxo-1,2,3,4-tetrahydro-pyrimidine-5-carbonitrile
物化性质
实验特性
LogP
-1.06512
PSA
89.51000
折射率
1.59
沸点
524.8°C at 760 mmHg
闪点
271.211℃
最大波长(λmax)
290(Na2CO3 aq.)(lit.)
密度
1.52
计算特性
精确分子量
137.02300
氢键供体数量
2
氢键受体数量
3
可旋转化学键数量
0
同位素质量
137.022526
重原子数量
10
复杂度
270
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)
-0.9
互变异构体数量
9
表面电荷
0
拓扑分子极性表面积
82
海关数据
海关编码
2933599090
海关数据
中国海关编码:
2933599090
概述:
2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
Summary:
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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