2,4,6-トリメチルベンジルアミン

2,4,6-Trimethylbenzylamine

HCID 458433

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 40393-99-5
標準SMILES: Cc1cc(C)c(CN)c(C)c1
InChIKey: DGSRAILDFBJNQI-UHFFFAOYSA-N
分子式: C10H15N
平均分子量: 149.23 g/mol
単同位体質量: 149.12044948

名称と識別子

優先名称: 2,4,6-Trimethylbenzylamine
IUPAC: (2,4,6-trimethylphenyl)methanamine
現地名: 2,4,6-トリメチルベンジルアミン
英語名: 2,4,6-Trimethylbenzylamine
分子式: C10H15N
分子量: 149.23

名称と別名

40393-99-52,4,6-TrimethylbenzylamineDTXSID40332514RefChem:245837DTXCID30283607807-283-7mesitylmethanamine1-mesitylmethanamine(2,4,6-trimethylphenyl)methanamineMFCD034110131-(2,4,6-trimethylphenyl)methanamine1-(Mesityl)methanamine

名称をさらに表示

2,4,6-トリメチルベンジルアミン2,4,6‐トリメチルベンジルアミン1-メシチルメタンアミンRARECHEM AL BW 03512,4,6-Trimethylbenzy1-MESITYLMETHYLAMINE1-MesitylMethanaMine, 97%+2,4,6-Trimethylbenzylamine,99%2,4,6-Trimethylbenzylamine 97%2,4,6-TriMethylbenzylaMine, 99% 1GR

2,4,6-TrimethylbenzenemethanamineBBL036407(2,4,6-trimethyl-phenyl)-methyl-amine2,4,6-trimethylbenzylamine hydrochlorideCS-0072358EN300-33151D71086Z239626566

データベース識別子

CAS: 40393-99-5
PubChem CID: 458433
DTXSID: DTXSID40332514
EC Number: 807-283-7
Nikkaji: J1.041.553E

物性

構造計算による物性

XLogP: 1.9
極性表面積: 26 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: 1
重原子数: 11
形式電荷: 0
複雑度: 110

物理化学的性質

融点: 196 · 196-197 °C
沸点: 98.5 · 98.5-100 °C(Press: 6 Torr)
比重(密度): 0.943 · 0.943±0.06 g/cm3(Predicted)
屈折率: 1.536 · 1.536-1.538
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: 液体
酸解離定数(Pka): 9.58 · 9.58±0.10(Predicted)
色: クリアイエロー
InChI: 1S/C10H15N/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5H,6,11H2,1-3H3
InChIKey: DGSRAILDFBJNQI-UHFFFAOYSA-N
SMILES: NCC1=C(C)C=C(C)C=C1C

化学的性質

化学的特性clear yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 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 CategoriesAcute Tox. 3 (25%)

安全データ

wgk: WGK 3
hs_code: 29214900
risk_code: 34
hazard_code: C
safety_code: 45-36/37/39-26
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects