9-(メチルアミノ)メチルアントラセン

9-(Methylaminomethyl)anthracene

HCID 188128CAS 73356-19-1

部分構造検索類似構造を探す

基本情報

標準SMILES: CNCc1c2ccccc2cc2ccccc12
InChIKey: WRVHTDZJMNUGQN-UHFFFAOYSA-N
分子式: C16H15N
平均分子量: 221.3 g/mol
単同位体質量: 221.12044948

概要

structure given in first source

名称と識別子

優先名称: 9-(Methylaminomethyl)anthracene
IUPAC: 1-anthracen-9-yl-N-methylmethanamine
現地名: 9-(メチルアミノ)メチルアントラセン
英語名: 9-(METHYLAMINOMETHYL)ANTHRACENE
分子式: C16H15N
分子量: 221.3

名称と別名

9-(Methylaminomethyl)anthracene9-MeNHMe-anthraceneRefChem:549142626-710-673356-19-11-(Anthracen-9-yl)-N-methylmethanamine1-anthracen-9-yl-N-methylmethanamineMFCD000099339-(n-methylaminomethyl)anthraceneN-Methyl-9-anthracenemethylamineBIDD:GT07409-(N-methylaminomethyl)-anthracene

名称をさらに表示

9-[(メチルアミノ)メチル]アントラセンメチル(9-アントリルメチル)アミンN-(9-アントリルメチル)メタンアミンN-メチル-9-アントラセンメタンアミンN-(アントラセン-9-イルメチル)メタンアミンN-メチルアントラセン-9-イルメタンアミンN-メチルアントラセン-9-メタンアミン9-(メチルアミノメチル)アントラセン9-(メチルアミノ)メチルアントラセン[(アントラセン-9-イル)メチル](メチル)アミン1-(Anthracen-9-yl)Methyl(9-anthrylmethyl)amine9-METHYLAMINOMETHYLANTRACENEN-(9-Anthrylmethyl)methanamineN-Methylanthracene-9-ylmethanamine9-(METHYLAMINOMETHYL)ANTHRACENE 99%N-(Anthracene-9-ylmethyl)methanamine

9-(Methylaminomethyl)anthracene, 99%SY034260CS-0045374N-Methyl-9-anthracenemethanamineN-Methyl-9-anthracenemethylamine; 9-MethylaminomethylanthraceneN-methyl-9-anth9-Anthracenemethanamine, N-methyl-9-Anthracenemethanamine, N_methyl-

データベース識別子

CAS: 73356-19-1
PubChem CID: 188128
DTXSID: DTXSID80994079
EC Number: 626-710-6
Nikkaji: J236.684C

物性

構造計算による物性

XLogP: 4.1
極性表面積: 12 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 17
形式電荷: 0
複雑度: 228

物理化学的性質

融点: 57 · 57-59 °C (lit.)
沸点: 389.6 · 389.6±11.0 °C(Predicted)
比重(密度): 1 · 1+-.0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
溶解性: Chloroform (Slightly), Methanol (Slightly)
外見: Solid
酸解離定数(Pka): 9.75 · 9.75±0.10(Predicted)
色: Light Yellow to Dark Yellow
InChI: 1S/C16H15N/c1-17-11-16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-10,17H,11H2,1H3
InChIKey: WRVHTDZJMNUGQN-UHFFFAOYSA-N
SMILES: CNCc1c2ccccc2cc3ccccc13

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

使用9-(Methylaminomethyl)anthracene (MAMA) was used as a model drug in the study of the effect of enzymatic degradation on the release behaviors of MAMA by UV-Vis spectroscopy. It was also used as a reagent in a sensitive method for determination of isocyanates in air by HPLC via UV or fluorescence detection.

一般的な説明9-(Methylaminomethyl)anthracene is an isocyanate derivatizing reagent.