3-Pyrrolidinone
- 中文别名:3-吡咯烷酮
- 中文释义:3-吡咯烷酮;Cyclopentanol;CCRIS 6058;Cyclopentane, methyl-;HSDB 876;Methyl cyclopentane;Methylpentamethylene;NSC 24836;Methylcyclopentane [UN2298] [Flammable liquid];UN2298;Methylcyclopentane;acrylatedemethyle;Acrylsaeuremethylester;2-Methacrylate;methyl
- 英文别名:pyrrolidin-3-one;
3-Oxo-pyrrolidin;
3-Oxopyrrolidine;
3-Pyrrolidinone;
Pyrrolidin-3-on;
3-Pyrrolidone
- CAS No.:96-42-4
- 分子式:C4H7NO
- 分子量:85.10
- 精确分子量:85.05280
- PSA:29.10000
- InChI:InChI=1/C4H7NO/c6-4-1-2-5-3-4/h5H,1-3H2
- 分子结构式:
物化性质
- 密度:
- 1.047 g/cm3
- 沸点:
- 156ºC at 760 mmHg
- 闪点:
- 79.9ºC
- 折射率:
- 1.452
安全信息
- 密度:
- 1.047 g/cm3
- 沸点:
- 156ºC at 760 mmHg
- 闪点:
- 79.9ºC
- 折射率:
- 1.452
海关数据
中国海关编码:2933990090
- 概述:
- 2933990090. 其他仅含氮杂原子的杂环化合物. 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
- 摘要/Summary:
- 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
分子结构与计算化学数据
分子结构数据
1、 摩尔折射率:21.92
2、 摩尔体积(cm3/mol):81.2
3、 等张比容(90.2K):193.9
4、 表面张力(dyne/cm):32.4
5、 极化率(10-24cm3):8.69
计算化学数据
1.疏水参数计算参考值(XlogP):-0.7
2.氢键供体数量:1
3.氢键受体数量:2
4.可旋转化学键数量:0
5.互变异构体数量:3
6.拓扑分子极性表面积29.1
7.重原子数量:6
8.表面电荷:0
9.复杂度:69.9
10.同位素原子数量:0
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:0
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1
热门化工词典词汇
- 4-(6-Methoxy-pyriMidin-4-ylaMino)-piperidine-1-carboxylic acid tert-butyl ester4-(6-甲氧基-嘧啶-4-基氨基)-哌啶-1-羧酸叔丁基酯
- 2-Propenoicacid,2-hydroxyethylester,polymerwith.alpha.-hydro-.omega.-hydroxypoly(oxy-1,4-butanediyl)and1,1-methylenebis[42-丙烯酸-2-羟乙基酯与&alpha
- 3-Pyridinemethanol,5,6-dichloro-5,6-二氯-3-嘧啶甲醇
- 1-bromo-6-methylcyclohexene1-溴-6-甲基环己烯
- 1,1'-(1,3-Propanediyl)bis[1,1-bis(2-methoxy-5-methylphenyl)phosphine]1,1'-(1,3-丙二基)双[1,1-双(2-甲氧基-5-甲基苯基)膦]
- 5-methylsulfonylthiophene-2-carbaldehyde5-(甲基磺酰基)-2-噻吩甲醛
- 3,4-dibromonaphthalene-1,2-dione3,4-二溴-1,2-萘二酮
- 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-methyl-5-METHYLPYRIMIDINE-2,4,6(1H,3H,5H)-TRIONE
- 5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid5-(1-乙基-5-甲基-1H-吡唑-4-基)-异恶唑-3-羧酸
- dimethyl bicyclo[2.2.1]heptane-2,3-dicarboxylatedimethyl bicyclo[2.2.1]heptane-2,3-dicarboxylate