3,3'-亚戊烯基-4-丁内酰胺 | 64744-50-9
3,3'-亚戊烯基-4-丁内酰胺
2-Azaspiro[4.5]decan-3-one
64744-50-9
C9H15NO
153.2215
名称和标识符
MDL |
MFCD00177938 |
InChIKey |
JAWPQJDOQPSNIQ-UHFFFAOYSA-N |
Inchi |
1S/C9H15NO/c11-8-6-9(7-10-8)4-2-1-3-5-9/h1-7H2,(H,10,11) |
SMILES |
O=C1C([H])([H])C2(C([H])([H])N1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H] |
BRN |
0119500 |
别名信息
- 中文别名 -
- 3,3'-亚戊烯基-4-丁内酰胺
- 3,3´-亚戊烯基-4-丁内酰胺
- 2-壬烯-[4,5]-癸烷-3-酮
- 4,4-环戊亚基-2-吡咯烷酮
- 3,3’-亚戊烯基-4-丁内酰胺
- 3,3-环戊烷-4-丁内酰胺
- 3,3-环戊烷-4-丁内酰胺(CDI)
- 3,3-环戊烷-5-丁内酰胺
- 3,3-亚戊基丁内酰胺
- 3,3''-亚戊烯基-4-丁内酰胺
- 3,3-亚戊烯基-4-丁内酰胺
- 3,3'-亚戊烯基-4-丁内酰胺,AR
- 4,4-Pentamethylene-2-pyrrolidone 4,4-环戊亚基-2-吡咯烷酮
- 加巴喷丁内酰胺
- 加巴喷丁相关物质A USP标准品
- 加巴喷丁杂质A
- 加巴喷丁杂质A EP标准品
- 加巴喷丁杂质A(EP) 标准品
- 4,4-五亚甲基-2-吡咯烷
- 4,4-五亚甲基-2-吡咯烷酮
- 3,3-环戊烷戊二酰亚胺
- 英文别名 -
- 2-Azaspiro[4.5]decan-3-one
- 3,3-Pentamethylene-4-butyrolactam
- 2-Azaspiro-[4,5]-Decan-3-One
- 4,4-Pentamethylene-2-pyrrolidone
- 2-AZASPIRO-(4,5)-DECAN-3-ONE
- 3,3-Pentenylene-4-butyrolactam
- 4,4-Pentamethylene-2-pyrrolidinone
- Gabapentin Related Compound A
- Gabapentin-lactam
- 3,3-Pentamethylene-4-butyrolac
- forgabapentine
- GABA-pentinlactam
- Pentamethylene pyrrolidinone
- Gabapentin Impurity A
- 3-Azaspiro[4.5]decan-2-one
- Gabapentin lactam
- 2-AZASPIRO(4,5)DECAN-3-ONE
- 2-Aza-spiro[4.5]decan-3-one
- JAWPQJDOQPSNIQ-UHFFFAOYSA-N
- beta,beta-Pentamethylen-gamma-butyrolactam [German]
- 0IP6953295
- 2-Azaspiro(4.5)decan-3-one
- PubChem20713
- PubChem15198
- beta,beta-Pentameth
- 2-azaspiro[4.5]decan-3-one
- .beta.,.beta.-Pentamethylen-.gamma.-butyrolactam
- NS00011447
- 8-aza-spiro(5,4)decan-9-on
- MFCD00177938
- Gabapentin-lactam 100 microg/mL in Acetonitrile
- BRN 0119500
- EC 451-630-1
- EN300-94425
- 64744-50-9
- 2-Aza-spiro[4,5]decan-3-one
- CHEMBL3115477
- KS-5267
- 4,4-Pentamethylene-2-pyrrolidinone, 96%
- P1695
- DTXSID40215070
- CS-0096868
- 1-(Aminomethyl)cyclohexaneacetic acid lactam
- GABAPENTIN IMPURITY A [EP IMPURITY]
- 2-Pyrrolidone, 4,4-pentamethylene-
- SCHEMBL483007
- AC1536
- 2-PYRROLIDONE,4,4-PENTAMETHYLENE
- Gabapentin impurity A, European Pharmacopoeia (EP) Reference Standard
- 5-21-07-00071 (Beilstein Handbook Reference)
- 8-aza-spiro[5,4]decan-9-on
- Q27236831
- FT-0640970
- beta, beta-pentamethylen-gamma-butyrolactam
- SY006466
- Z1255399250
- InChI=1/C9H15NO/c11-8-6-9(7-10-8)4-2-1-3-5-9/h1-7H2,(H,10,11
- AKOS005169332
- AC-8435
- GABAPENTIN LACTAM [NFLIS-DRUG]
- Q-200416
- 2-bromo-2-(4-methoxy-phenyl-hydrazono)-aceticacidethylester
- UNII-0IP6953295
- 2-Azaspiro[4.5]decan-3-one (3,3-Pentamethylene-4-butyrolactam)
- CHEBI:182289
- beta,beta-Pentamethylen-gamma-butyrolactam
物化性质
实验特性
LogP |
1.78560 |
PSA |
29.10000 |
折射率 |
1.509 |
沸点 |
181°C/13mmHg(lit.) |
熔点 |
84-89 °C (lit.) |
闪点 |
192.3℃ |
颜色与性状 |
固体。 |
溶解性 |
未确定。 |
密度 |
1.05 |
计算特性
精确分子量 |
153.11500 |
氢键供体数量 |
1 |
氢键受体数量 |
1 |
可旋转化学键数量 |
0 |
同位素质量 |
153.115364 |
重原子数量 |
11 |
复杂度 |
170 |
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) |
1.5 |
互变异构体数量 |
3 |
表面电荷 |
0 |
拓扑分子极性表面积 |
29.1 |
海关数据
海关编码 |
2933790090 |
海关数据 |
中国海关编码:
2933790090
概述:
2933790090 其他内酰胺. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:9.0% 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:
2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0%
|
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参考资料
Reaxys RN |
119500 |
Beilstein |
21(5)7,71 |
与3,3'-亚戊烯基-4-丁内酰胺相关的问答
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「3,3’-亚戊烯基-4-丁内酰胺」64744-50-9
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3,3''-亚戊烯基-4-丁内酰胺的沸点是多少?
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3,3'-亚戊烯基-4-丁内酰胺的熔点是多少?
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「3,3'-亚戊烯基-4-丁内酰胺」64744-50-9
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3,3'-亚戊烯基-4-丁内酰胺的沸点是多少?
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「3,3´-亚戊烯基-4-丁内酰胺」64744-50-9
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3,3´-亚戊烯基-4-丁内酰胺的熔点是多少?
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3,3’-亚戊烯基-4-丁内酰胺的沸点是多少?
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「3,3''-亚戊烯基-4-丁内酰胺」64744-50-9
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3,3’-亚戊烯基-4-丁内酰胺的熔点是多少?
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