5-アミノ-2-メトキシピリミジン

2-Methoxypyrimidin-5-amine

HCID 352904

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 56621-89-7
標準SMILES: COc1ncc(N)cn1
InChIKey: HKHRENFWPKWVML-UHFFFAOYSA-N
分子式: C5H7N3O
平均分子量: 125.13 g/mol
単同位体質量: 125.05891186

名称と識別子

優先名称: 2-Methoxypyrimidin-5-amine
IUPAC: 2-methoxypyrimidin-5-amine
現地名: 5-アミノ-2-メトキシピリミジン
英語名: 2-Methoxypyrimidin-5-amine
分子式: C5H7N3O
分子量: 125.13

名称と別名

2-methoxypyrimidin-5-amine56621-89-75-Amino-2-methoxypyrimidineMFCD082348785-PYRIMIDINAMINE, 2-METHOXY-NSC5287292-methoxypyrimidine-5-amineSCHEMBL115475DTXSID203264762-methoxy-5-pyrimidinamineAMY15645BCP22071

名称をさらに表示

5-アミノ-2-メトキシピリミジン5-Pyrimidinamine, 2-methoxy5-Pyrimidinamine, 2-methoxy- (9CI)2-Methoxypyrimidin-5-amine ISO 9001：2015 REACH2-Methoxypyrimidin-5-amine, 5-Amino-2-methoxy-1,3-diazine

2-methoxypyrimidine-5-ylamineSCHEMBL4056682CS-D161CS-D1615SBB0519542-METHOXY-PYRIMIDIN-5-YLAMINEAKOS010387989AB43671

データベース識別子

CAS: 56621-89-7
PubChem CID: 352904
DTXSID: DTXSID20326476
EC Number: 639-355-7
Nikkaji: J3.759.373G

物性

構造計算による物性

XLogP: -0.2
極性表面積: 61 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: 1
重原子数: 9
形式電荷: 0
複雑度: 80

物理化学的性質

融点: 119 · 119-120 °C(Solv: benzene (71-43-2))
沸点: 294.4 · 294.4±32.0 °C(Predicted)
比重(密度): 1.224 · 1.224±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
酸解離定数(Pka): 2.49 · 2.49±0.22(Predicted)
InChI: InChI=1S/C5H7N3O/c1-9-5-7-2-4(6)3-8-5/h2-3H,6H2,1H3
InChIKey: HKHRENFWPKWVML-UHFFFAOYSA-N
SMILES: C1(OC)=NC=C(N)C=N1

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.