N-甲酸基哌啶 | 2591-86-8
中文名称:
N-甲酸基哌啶
英文名称:
piperidine-1-carbaldehyde
CAS No.:
2591-86-8
分子式:
C6 H1 1 NO
分子量:
113.1576
名称和标识符
MDL
MFCD00006483
InChIKey
FEWLNYSYJNLUOO-UHFFFAOYSA-N
Inchi
1S/C6H11NO/c8-6-7-4-2-1-3-5-7/h6H,1-5H2
SMILES
O=C([H])N1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]
BRN
107697
别名信息
- 中文别名 -
N-甲酸基哌啶
哌啶-1-甲醛
1-甲酰基哌啶
1-甲酰哌啶
1-Formylpiperidine 1-甲酰哌啶
N-甲酰基哌啶
N-甲酰基哌啶,1-甲酰基哌啶
N-甲酰哌啶
- 英文别名 -
Piperidine-1-carbaldehyde
1-Formylpiperidine
piperidine-N-carbaldehyde
Piperidine-1-carboxaldehyde
1-Piperidinecarboxamide
1-Piperidinecarbaldehyde
3-Pyridinemethanol
Formylpiperidine
N-Formyl piperdine
N-Formylpiperidine
1-formyl-piperidin
1-piperidinecarboxaldehyde
N-Formylpiperidin
nfp
Piperidinoformamide
N-Carbaldehyde piperidine
PIPERIDINE, 1-FORMYL-
N-Formylpiperidin [German]
1-formyl-piperidine
N-Piperidinecarboxaldehyde
ZIQ29H6CZG
FEWLNYSYJNLUOO-UHFFFAOYSA-N
WLN: T6NTJ AVH
N-Formylpiperidine,
NFP
1-Piperidinecarboxaldehyde
Piperidine-N-carbaldehyde
piperidine-1-carbaldehyde
DTXCID6023941
n-formylpiperdine
BCP20086
NSC-1066
EINECS 219-986-0
PS-11953
CAS-2591-86-8
FORMYLPIPERIDIDE
Tox21_302107
NSC1066
FPI
N- formylpiperidine
1-Formyl piperidine
MFCD00006483
D77795
NS00003291
FT-0634383
METHYLTRIOCTYLAMMONIUMIODIDE
1-Formylpiperidine, 99%
DB04113
NSC 404158
AI3-15238
SB42936
InChI=1/C6H11NO/c8-6-7-4-2-1-3-5-7/h6H,1-5H
UNII-ZIQ29H6CZG
A833967
CHEBI:193610
N-Formylpiperidin (german)
AKOS000297086
SCHEMBL2638
F0234
Z1255415437
Q6951369
AMY3400
DTXSID8043941
F1984-0370
piperidinecarboxaldehyde
1-Piperidinecarbaldehyde #
NSC 1066
NCGC00255934-01
NSC-404158
W-107211
CHEMBL1232817
BB 0256599
N-formyl piperidine
2591-86-8
NSC404158
N-formyl-piperidine
Formyl piperidine
EN300-133690
CS-W016610
1-Formylpiperidine,98%
物化性质
实验特性
LogP
1.20250
PSA
20.31000
折射率
n20/D 1.484(lit.)
水溶性
易溶
沸点
222°C(lit.)
熔点
-31 ºC
蒸气压
0.1 mmHg ( 25 °C)
闪点
华氏:215.6 °F 摄氏:102 °C
颜色与性状
无色透明至微黄色液体
溶解性
完全溶于水,溶于乙醇、醚和己烷
密度
1.019 g/mL at 25 °C(lit.)
计算特性
精确分子量
113.08400
氢键供体数量
0
氢键受体数量
1
可旋转化学键数量
0
同位素质量
113.084
重原子数量
8
复杂度
76.6
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
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
20.3
海关数据
海关编码
29333999
海关数据
中国海关编码:
2933399090
概述:
2933399090. 其他结构含非稠合吡啶环的化合物. 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:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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参考资料
Reaxys RN
107697
Beilstein
20,45
上游
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