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名称

4-乙酰氨基苯甲酸

分子类型

小分子

别名

对乙酰氨基苯甲酸

英文别名

英文名称

4-Acetamidobenzoic acid

货号

A107219-100g

包装规格

100g

浓度

≥99%

运输条件

常规运输

生化机理

对氨基苯甲酸（PABA）的乙酰化衍生物。麻醉剂苯佐卡因的代谢产物。

CAS号

556-08-1

分子式

C9H9NO3

分子量

179.17 g/mol

Beilstein号

390602

EC号

209-114-7

MDL号

MFCD00002534

PubChem编号

19266

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)O

IIUPAC Name

4-acetamidobenzoic acid

INCHI

1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)

InChi Key

QCXJEYYXVJIFCE-UHFFFAOYSA-N

Smiles

CC(=O)NC1=CC=C(C=C1)C(=O)O

PubChem SID

488182536

熔点

255-262°C

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

179.058 Da

单同位素质量Monoisotopic Mass

179.058 Da

拓扑极表面积Topological Polar Surface Area

66.400 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

207.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

1.300

密度

1.326

Reaxy-Rn

390602

备注

如果有可能，您尽量在使用的当天配置溶液，并在当天使用完它。但是，如果您需要预先配制储备溶液，我们建议您将溶液等份保存在-20°C的密封小瓶中。通常，它们最多可以使用一个月。在使用前和打开样品瓶之前，我们建议您让您的产品在室温下平衡至少1小时。需要更多关于溶解度，用法和处理的建议吗？请访问我们的常见问题（FAQ）页面以获取更多详细信息。

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

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