CAS 36052-26-3 Methyl 6-aminopyridine-2-carboxylate (HCID 13809143)

基本情報

CAS: 36052-26-3
標準SMILES: COC(=O)c1cccc(N)n1
InChIKey: OHIHEJTUXNQOPM-UHFFFAOYSA-N
分子式: C7H8N2O2
平均分子量: 152.15 g/mol
単同位体質量: 152.0585775

名称と識別子

優先名称: Methyl 6-aminopyridine-2-carboxylate
IUPAC: methyl 6-aminopyridine-2-carboxylate
現地名: 6-アミノピリジン-2-カルボン酸メチル
英語名: 6-AMINOPICOLINIC ACID METHYL ESTER
分子式: C7H8N2O2
分子量: 152.15

名称と別名

36052-26-3methyl 6-aminopyridine-2-carboxylateDTXSID00550151RefChem:356258DTXCID60500935814-176-9Methyl 6-aminopicolinate6-AMINOPICOLINIC ACID METHYL ESTERMFCD002337126-Aminopyridine-2-carboxylic acid methyl esterSCHEMBL4801136-aminopicolinate methyl ester

名称をさらに表示

6-アミノピリジン-2-カルボン酸メチル6-アミノピコリン酸メチル6-アミノピコリン酸メチルエステルMethyl 2-aMinopyridine-6-carboxylate6-aminopicoLTIANFUCHEM-36052-26-3methyl 6-amino-2-pyridinecarboxylateMethyl 2-amino-6-pyridinecarboxylate6-aMino-5-Methylpyridine-2-carboxylate6-Aminopicolinic Acid Methyl Ester (A)

2-methoxycarbonyl-6-iminopyridineMethy 6-aminopyridine-2-carboxylateEN300-1601042-PYRIDINECARBOXYLIC ACID, 6-AMINO-, METHYL ESTER6-aminopicoli6-Amino-2-pyridinecarboxylic acid methyl ester2-Amino-6-(methoxycarbonyl)pyridineA6261

データベース識別子

CAS: 36052-26-3
PubChem CID: 13809143
DTXSID: DTXSID00550151
EC Number: 814-176-9
Nikkaji: J759.651K

物性

構造計算による物性

XLogP: 0.7
極性表面積: 65.2 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 149

物理化学的性質

融点: 95 to · 95.0 to 99.0 °C
沸点: 321.1 · 321.1±22.0 °C(Predicted)
比重(密度): 1.238 · 1.238±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: powder to crystal
酸解離定数(Pka): 1.83 · 1.83±0.10(Predicted)
色: White to Yellow to Orange
InChI: InChI=1S/C7H8N2O2/c1-11-7(10)5-3-2-4-6(8)9-5/h2-4H,1H3,(H2,8,9)
InChIKey: OHIHEJTUXNQOPM-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=NC(N)=CC=C1
CAS データベース: 36052 · 36052-26-3

化学的性質

化学的特性White to off-white powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.