CAS 121588-79-2 (trans-4-Methoxycyclohexyl)amine (HCID 409910)

基本情報

CAS: 121588-79-2
標準SMILES: COC1CCC(N)CC1
InChIKey: SDMXLAZIFYYECU-UHFFFAOYSA-N
分子式: C7H15NO
平均分子量: 129.2 g/mol
単同位体質量: 129.1153641

名称と識別子

優先名称: (trans-4-Methoxycyclohexyl)amine
IUPAC: 4-methoxycyclohexan-1-amine
現地名: (TRANS-4-メトキシシクロヘキシル)アミン
英語名: trans-4-MethoxycyclohexanaMine
分子式: C7H15NO
分子量: 129.2

名称と別名

121588-79-2(trans-4-methoxycyclohexyl)amineRefChem:408548873-412-94-METHOXYCYCLOHEXANAMINE4342-46-5Trans-4-methoxycyclohexanamineCis-4-methoxycyclohexanamine130290-78-74-methoxycyclohexylamine4-methoxycyclohexan-1-aminetrans-4-Methoxy-cyclohexylamine

名称をさらに表示

(TRANS-4-メトキシシクロヘキシル)アミン(1r,4r)-4-methoxycyclohexan-1-amineCyclohexanamine,4-methoxy-,trans-(1r,4r)-4-methoxycyclohexan-1-amine hydrochloride(1r,4r)-4-methoxycyclohexan-1-amine hydrogen chloridetrans-4-MethoxycyclohexanaMine,,,(1r,4r)-4-methoxycyclohexan-1-amine

Cis-4-methoxy-cyclohexylamineCyclohexanamine, 4-methoxy-, trans-trans-4-Methoxycyclohexan-1-amineMFCD17011799Cyclohexanamine, 4-methoxy-MFCD20278175MFCD18207818trans-4-methoxycyclohexylamine

データベース識別子

CAS: 121588-79-2、4342-46-5
PubChem CID: 409910
DTXSID: DTXSID401347613
EC Number: 873-412-9

物性

構造計算による物性

XLogP: 0.5
極性表面積: 35.3 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: 1
重原子数: 9
形式電荷: 0
複雑度: 77

物理化学的性質

沸点: 174.5 · 174.5±33.0 °C(Predicted)
比重(密度): 0.94 · 0.94±0.1 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
酸解離定数(Pka): 10.38 · 10.38±0.70(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, 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.