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化合物简介
4-Methoxybenzenemethanamine is used in the synthesis of COX2 inhibitors based on a pyrimidine scaffold. Also used in the preparation of SIRT1 inhibitors. Used in anti-cancer treatments.
基本信息
CAS:2393-23-9
中文别名:对甲氧基苄胺;4-甲氧基苯甲胺;
英文别名:4-Methoxybenzylamine;4-AMINOMETHYL-ANISOLE;P-METHOXYBENZYLAMINE;Benzenemethanamine, 4-methoxy-;4-methoxybenzenemethanamine;p-Methoxyphenylmethylamine;Anisylamine;para-methoxybenzylamine;RARECHEM AL BW 0028;Benzylamine,p-methoxy;forSparfloxacine;4-methoxy-benzylamine;
分子式:C8H11NO
分子量:137.179
精确质量:137.084
Psa:35.25
Logp:1.8542
中文别名:对甲氧基苄胺;4-甲氧基苯甲胺;
英文别名:4-Methoxybenzylamine;4-AMINOMETHYL-ANISOLE;P-METHOXYBENZYLAMINE;Benzenemethanamine, 4-methoxy-;4-methoxybenzenemethanamine;p-Methoxyphenylmethylamine;Anisylamine;para-methoxybenzylamine;RARECHEM AL BW 0028;Benzylamine,p-methoxy;forSparfloxacine;4-methoxy-benzylamine;
分子式:C8H11NO
分子量:137.179
精确质量:137.084
Psa:35.25
Logp:1.8542
编号系统
MDL号:MFCD00008122
BRN号:508206
EINECS号:219-247-2
PubChem号:24896615
BRN号:508206
EINECS号:219-247-2
PubChem号:24896615
物化性质
外观与性状:透明无色至略黄色液体
密度:1.05g/mLat 25°C(lit.)
沸点:236-237°C(lit.)
熔点:-10°C
闪点:>230°F
折射率:n20/D 1.546(lit.)
稳定性:Stable under normal temperatures and pressures.
储存条件:Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
蒸汽压:0.0472mmHg at 25°C
密度:1.05g/mLat 25°C(lit.)
沸点:236-237°C(lit.)
熔点:-10°C
闪点:>230°F
折射率:n20/D 1.546(lit.)
稳定性:Stable under normal temperatures and pressures.
储存条件:Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
蒸汽压:0.0472mmHg at 25°C
安全信息
安全说明:S26-S36/37/39-S45
危险类别码:R34
WGK Germany:3
危险品运输编码:UN 2735 8/PG 2
海关编码:29222900
危险类别:8
包装等级:III
危险品标志:C
危险类别码:R34
WGK Germany:3
危险品运输编码:UN 2735 8/PG 2
海关编码:29222900
危险类别:8
包装等级:III
危险品标志:C
生产方法及用途
用途
用作医药中间体的合成
用作医药中间体的合成
合成路线
上游原料
下游产品
图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict

13C NMR : in CDCl3

1H NMR : 90 MHz in CDCl3

Mass

IR : liquid film
