Methyl 3,5-diaminobenzoate 3,5-二氨基苯甲酸甲酯

CAS 1949-55-9 MFCD00041433

化学结构图

1949-55-9
SMILES: COC(=O)c1cc(N)cc(N)c1

化学属性

Mol. FormulaC8H10N2O2
Mol. Weight166.18
Melting Point131-134 °C
TSCANo

别名和识别编码

Chemical NameMethyl 3,5-diaminobenzoate
CAS Number1949-55-9
Alfabeta NameMETHYLDIAMINOBENZENECARBOXYLATE 35-,
MDL NumberMFCD00041433
Synonym Methyl 3,5-diaminobenzoate {LY} Methyl 3,5-diaminobenzoate {} {LY} Methyl 3,5-diaminobenzoate {} {} {LY} Methyl 3,5-diaminobenzoate {} {} {} {LY} Methyl 3,5-diaminobenzoate {} {} {} {} {LY} Methyl 3,5-diaminobenzoate {} {} {} {} {} {LY} Methyl 3,5-diaminobenzoate {} {} {} {} {} {} {LY} Methyl 3,5-diaminobenzoate {} {} {} {} {} {} {} {LY} Methyl 3,5-diaminobenzoate {} {} {} {} {} {} {} {} {LY} Methyl 3,5-diaminobenzoate {} {} {} {} {} {} {} {} {} {LY} Methyl 3,5-diaminobenzoate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3,5-diaminobenzoate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3,5-diaminobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3,5-diaminobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3,5-diaminobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3,5-diaminobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3,5-diaminobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3,5-diaminobenzoa
EC Number000-000-0
Beilstein Registry Number2363309
Chemical Name Translation3,5-二氨基苯甲酸甲酯
LabNetwork Molecule IDLN00148793
PubChem Substance ID7010431
InChIInChI=1S/C8H10N2O2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,9-10H2,1H3
Canonical SMILESO=C(OC)C1=CC(N)=CC(N)=C1
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分类

  • {KO} Esters
  • {KO} Anilines
  • {KO} Diamines

安全信息

Warnings IRRITANT
Packing GroupIII
Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
2
H-bond Acceptors
2
Rotatable Bonds
2
LogP
2.103000000000000e-001

系列性分类

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