HCID178497934

Methyl 4-(guanidinomethyl)benzoate

methyl 4-[(diaminomethylideneamino)methyl]benzoate

C10H13N3O2207.23 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1ccc(CNC(=N)N)cc1
InChIKey: RUSQUIYMDUXKSM-UHFFFAOYSA-N
分子式: C10H13N3O2
平均分子量: 207.23 g/mol
单同位素质量: 207.10077667

COMPUTED

结构计算性质

已同步

XLogP: 0.8
极性表面积: 90.7 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 4
重原子: 15
形式电荷: 0
复杂度: 241

ALIASES

名称与别名

共 18 条

736080-30-1methyl 4-(guanidinomethyl)benzoatemethyl 4-(carbamimidamidomethyl)benzoatemethyl 4-[(diaminomethylideneamino)methyl]benzoateNilotinib Impurity 56SCHEMBL1064916methyl4-(guanidinomethyl)benzoateDTXSID40609798RUSQUIYMDUXKSM-UHFFFAOYSA-NMFCD23136031AKOS015996910BH-0007SB18356BCB04_0000014-guanidinomethyl-benzoic acid methyl esterDB-297991CS-0366437Methyl 4-{[(diaminomethylidene)amino]methyl}benzoate

REACTIONS