35920-39-9
中文名称
5'-N-乙基酰胺基腺苷
英文名称
NECA
CAS
35920-39-9
分子式
C12H16N6O4
分子量
308.29
MOL 文件
35920-39-9.mol
更新日期
2025/02/13 15:05:43
35920-39-9 结构式
基本信息
中文别名
5'-乙基甲酰氨基腺苷5'-N-乙基酰胺基腺苷
5'-N-乙基氨基甲酰基腺苷
1-(6-氨基-9H-嘌呤-9-基)-1-脱氧-N-乙基-.BETA.-D-RIBO呋喃URON酰胺
英文别名
NECA744-96
765-21
D-NECA
B-744-96
5'-ETHYLCARBOXAMIDOADENOSINE
Adenosine-5'-ethylcarboxamide
5'-N-Ethylcarboxamideadenosine
5'-Ethylcarboxamido-D-adenosine
5'-N6-Ethylcarboxamidoadenosine
所属类别
生物化工：核苷中间体物理化学性质
熔点229-231°C
密度1.87±0.1 g/cm3(Predicted)
储存条件2-8°C
储存条件2-8°C
溶解度45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.2 mg/mL Solutions may be stored for several days at 4?#x00b0;C.
溶解度45%(w/v)水溶液2-羟丙基-β-环糊精：0.2 mg/mL溶液可在4°C下储存数天。
酸度系数(pKa)12.93±0.70(Predicted)
形态powder
颜色white
水溶解性45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.2mg/mL (Solutions may be stored for several days at 4 °C.)
DMSO: 14mg/mL (Solutions may be stored for several days at 4 °C.)
0.1 M HCl: 3.4mg/mL (Solutions may be stored for several days at 4 °C.)
H2O: insoluble
ethanol: soluble (Solutions may be stored for several days at 4 °C.)
DMSO: 14mg/mL (Solutions may be stored for several days at 4 °C.)
0.1 M HCl: 3.4mg/mL (Solutions may be stored for several days at 4 °C.)
H2O: insoluble
ethanol: soluble (Solutions may be stored for several days at 4 °C.)
稳定性吸湿性
InChIInChI=1/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/s3
InChIKeyJADDQZYHOWSFJD-FLNNQWSLSA-N
SMILESN1(C=NC2C(N)=NC=NC1=2)[C@H]1[C@H](O)[C@H](O)[C@@H](C(=O)NCC)O1 |&1:10,11,13,15,r|
CAS 数据库35920-39-9
安全数据
警示词危险
危险性描述H300
危险品标志T+
危险类别码28
安全说明22-26-36-45
危险品运输编号UN 2811 6.1/PG 2
危险品运输编号UN 2811 6.1/PG 2
WGK Germany3
WGK Germany3
RTECS号VJ2232000
危险等级6.1(a)
包装类别I
海关编码29349990