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名称

5-氨基-1-甲基吡唑-4-甲酸乙酯

分子类型

小分子

别名

5-氨基-1-甲基-1H-吡唑-4-甲酸乙酯

英文别名

5-amino-4-ethoxycarbonyl-1-methylpyrazole | J-516662 | 5-Amino-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester;Ethyl 5-amino-1-methylpyrazole-4-carboxylate | BBL016264 | E0986 | ethyl 5-amino-1-methyl-4-pyrazolecarboxylate | Ethyl 5-amino-1-methyl-1H-p

英文名称

Ethyl 5-Amino-1-methylpyrazole-4-carboxylate

货号

E124705-10g

包装规格

10g

浓度

≥98%

储存温度

充氩

运输条件

常规运输

敏感性

对湿度敏感

CAS号

31037-02-2

分子式

C7H11N3O2

分子量

169.18 g/mol

Beilstein号

131200

MDL号

MFCD00051652

PubChem编号

271299

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C)N

IIUPAC Name

ethyl 5-amino-1-methylpyrazole-4-carboxylate

INCHI

1S/C7H11N3O2/c1-3-12-7(11)5-4-9-10(2)6(5)8/h4H,3,8H2,1-2H3

InChi Key

MEUSJJFWVKBUFP-UHFFFAOYSA-N

Smiles

CCOC(=O)C1=C(N(N=C1)C)N

溶解性

可溶于甲醇

熔点

97-102°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

169.085 Da

单同位素质量Monoisotopic Mass

169.085 Da

拓扑极表面积Topological Polar Surface Area

70.100 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

174.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

0.700

Reaxy-Rn

131200

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

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「No related articles yet」

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