(3-メトキシベンジル)メチルアミン HYDROCHLORIDE

3-Methoxy-N-methylbenzylamine

HCID 5152225CAS 41789-95-1

部分構造検索類似構造を探す

基本情報

標準SMILES: CNCc1cccc(OC)c1
InChIKey: FIFKRPFWLHBMHL-UHFFFAOYSA-N
分子式: C9H13NO
平均分子量: 151.21 g/mol
単同位体質量: 151.09971404

名称と識別子

優先名称: 3-Methoxy-N-methylbenzylamine
IUPAC: 1-(3-methoxyphenyl)-N-methylmethanamine
現地名: (3-メトキシベンジル)メチルアミン HYDROCHLORIDE
英語名: 3-Methoxy-N-methylbenzylamine 97
分子式: C9H13NO
分子量: 151.21

名称と別名

41789-95-13-Methoxy-N-methylbenzylamineDTXSID90408899RefChem:280480DTXCID90359751627-600-01-(3-methoxyphenyl)-N-methylmethanamineN-methyl-3-methoxybenzylamineMFCD04618244[(3-methoxyphenyl)methyl](methyl)amine3-METHOXY-N-METHYLBENZYLAMINE 97(3-Methoxyphenyl)-N-MethylMethanaMine

名称をさらに表示

(3-メトキシベンジル)メチルアミン HYDROCHLORIDE(3-メトキシベンジル)メチルアミン1-(3-メトキシフェニル)-N-メチルメタンアミン3-メトキシ-N-メチルベンジルアミンメチル(3-メトキシベンジル)アミン[(3-メトキシフェニル)メチル](メチル)アミンDiclofensine Impurity 1(3-methoxybenzyl)methylamineN-(3-METHOXYBENZYL)-N-METHYLAMINE3-Methoxy-N-methylbenzylamine 973-Methoxy-1-(MethylaMinoMethyl)benzene

1-(3-methoxyphenyl)-N-methylmethanamine hydrochloride[(3-methoxyphenyl)methyl]methylamine1-(3-methoxyphenyl)-N-methyl-methanamine(3-Methoxybenzyl)methylamine; 1-(3-Methoxyphenyl)-N-methylmethanamine; 3-Methoxy-1-(methylaminomethyl)benzene; N-(3-Methoxybenzyl)-N-methylamine; N-Methyl-1-[3-(methoxy)phenyl]methanamine; N-Methyl-3-methoxybenzylamine3-METHOXY-N-METHYLBESCHEMBL297410N-methyl-3-methoxy-benzylamineSCHEMBL2076794

データベース識別子

CAS: 41789-95-1
PubChem CID: 5152225
DTXSID: DTXSID90408899
EC Number: 627-600-0
Nikkaji: J2.696.461J

物性

構造計算による物性

XLogP: 1.4
極性表面積: 21.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 11
形式電荷: 0
複雑度: 106

物理化学的性質

沸点: 130 · 130-133 °C28 mm Hg(lit.)
比重(密度): 1.014 g/mL · 1.014 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.5290(lit.)
闪点: 212 °F · 212 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: クロロホルム、ジクロロメタン、酢酸エチル、メタノールに可溶。
酸解離定数(Pka): 9.65 · 9.65±0.10(Predicted)
外見: 液体
InChI: 1S/C9H13NO/c1-10-7-8-4-3-5-9(6-8)11-2/h3-6,10H,7H2,1-2H3
InChIKey: FIFKRPFWLHBMHL-UHFFFAOYSA-N
SMILES: CNCc1cccc(OC)c1

化学的性質

化学的特性Liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 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.