N-(4-甲氧基苄基)-N-甲胺

1-(4-methoxyphenyl)-N-methylmethanamine

HCID 485407CAS 702-24-9

子结构检索查找相似结构

基本信息

标准SMILES: CNCc1ccc(OC)cc1
InChIKey: AIJFPNKGGAPZFJ-UHFFFAOYSA-N
分子式: C9H13NO
平均分子量: 151.21 g/mol
单同位素质量: 151.09971404

名称与标识

首选名称: 1-(4-methoxyphenyl)-N-methylmethanamine
IUPAC: 1-(4-methoxyphenyl)-N-methylmethanamine
中文名: N-(4-甲氧基苄基)-N-甲胺
英文名: N-(4-Methoxybenzyl)-N-methylamine
分子式: C9H13NO
分子量: 151.21

名称与别名

N-Methyl-4-methoxybenzylamine1-(4-methoxyphenyl)-N-methylmethanamineRefChem:425778662-855-1702-24-94-Methoxy-N-methylbenzylamineN-(4-Methoxybenzyl)-N-methylamineBenzenemethanamine, 4-methoxy-N-methyl-MFCD04115407[(4-methoxyphenyl)methyl](methyl)amine1-(4-methoxyphenyl)-N-methyl-methanamine4-methoxy-N-methylbenzenemethanamine

展开更多名称

对甲氧基-N-甲基苄胺N-甲基-4-甲氧基苄胺4-甲氧基-N-甲基苄胺4-甲氧基-N-甲基苯甲胺4-甲氧基苄基)-N-甲胺N-(4-甲氧基苄基)-N-甲胺1-(4-甲氧苯基)-N-甲基甲胺1-(4-甲氧基苯基)-N-甲基甲胺N-甲基-4-甲氧基苄胺, 98%+4-甲氧基-N-甲基苄胺)-N-MethyLAKOS BC-0897JACS-702-24-9N-(4-Methoxybenzyl)-4-(Methoxybenzyl)-N-methylamine

2-Naphthyl phosphate calcium salt hydrate(4-Methoxy-benzyl)-methyl-amineN-Methyl-p-methoxybenzylamine(4-methoxyphenyl)-N-methylmethanamineSCHEMBL9831methyl-4-methoxybenzyl amine4-methoxy-N-methylbenzyl amineN-(4-Methoxybenzyl)methylamine

数据库标识

CAS: 702-24-9
PubChem CID: 485407
DTXSID: DTXSID80220466
ChEMBL: CHEMBL1178119
EC Number: 662-855-1
Nikkaji: J971.867B

性质

结构计算性质

XLogP: 1.4
极性表面积: 21.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 3
重原子: 11
形式电荷: 0
复杂度: 97.7

物理化学性质

熔点: 238 °C · 238 °C
沸点: 88 °C · 88 °C
密度: 1.008 g/mL · 1.008 g/mL at 25 °C
折射率: 20 · n20/D1.529
闪点: 109 ℃ · 109℃
储存条件: 2 · 2-8°C
溶解度: Chloroform (Slightly), Methanol (Slightly)
形态: Oil
酸度系数(pKa): 10.14 · 10.14±0.10(Predicted)
颜色: Clear Beige
InChI: InChI=1S/C9H13NO/c1-10-7-8-3-5-9(11-2)6-4-8/h3-6,10H,7H2,1-2H3
InChIKey: AIJFPNKGGAPZFJ-UHFFFAOYSA-N
SMILES: C1(CNC)=CC=C(OC)C=C1
CAS 数据库: 702 · 702-24-9(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory.

危害信息

Regulatory InformationStatus: Cease Manufacture Update: 04-10-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18136

Hazard Classes and CategoriesAcute Tox. 4 (93.2%)

安全数据

wgk: 1
包装类别: III
危险等级: 8
安全说明: 26-36/37/39
海关编码: 2921490090
危险品标志: C,Xn
危险类别码: 36/37/38-34-22
危险品运输编号: UN 2735 8/PG III

化学与工业

上下游产品信息

上游原料

4-甲氧基溴苄一甲胺硼氢化钠对甲氧基苯甲醛氢氧化钠

试剂价格

45173 · 1g: 1-(4-甲氧基苯基)-N-甲基甲胺4-Methoxy-N-methylbenzylamine, 95%, Thermo Scientific Chemicals — 834元
M2836 · 1g: 4-甲氧基-N-甲基苄胺4-Methoxy-N-methylbenzylamine — 70元