基本情報
- CAS
586-70-9- 標準SMILES
Cc1ccc(C(C)N)cc1- InChIKey
UZDDXUMOXKDXNE-UHFFFAOYSA-N- 分子式
- C9H13N
- 平均分子量
- 135.21 g/mol
- 単同位体質量
- 135.10479942
名称と識別子
- 優先名称
- 1-(4-Methylphenyl)ethylamine
- IUPAC
- 1-(4-methylphenyl)ethanamine
- 現地名
- 1-(p-トリル)エチルアミン
- 英語名
- 1-(4-Methylphenyl)ethylamine 96
- 分子式
- C9H13N
- 分子量
- 135.21
名称と別名
1-(4-Methylphenyl)ethylamine586-70-9RefChem:425919443-160-0624-212-31-(4-Methylphenyl)ethanamine1-(p-Tolyl)ethylamineMFCD021771111-(4-methylphenyl)ethan-1-amine4-(1-Aminoethyl)toluene1-p-Tolyl-ethylamine42070-98-4
名称をさらに表示
1-(p-トリル)エチルアミン4-(1-アミノエチル)トルエン1-p-Tolylethanamine1-(4-Methylphenyl)ethylamine 961-(p-Tolyl)ethylamine - [T93856]P-METHYL-ALPHA-PHENYL ETHYLAMINEBenzenemethanamine, α,4-dimethyl-JR-8734, 1-(4-Methylphenyl)ethylamine, 97%
1-(p-tolyl)ethanamineSB75387Benzenemethanamine, .alpha.,4-dimethyl-1-(4-Methylphenyl)ethanamine #(1R)-1-(4-methylphenyl)ethylamine(1S)-1-(4-methylphenyl)ethylamine(R)-(+)-4-(1-Aminoethyl)toluene1-(p-tolyl)ethan-1-amine
データベース識別子
- CAS
586-70-9- PubChem CID
- 577386
- DTXSID
DTXSID501028260- EC Number
- 443-160-0、624-212-3、937-697-4
- Nikkaji
- J450.681B
物性
構造計算による物性
- XLogP
- 1.5
- 極性表面積
- 26 Ų
- 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
- 10
- 形式電荷
- 0
- 複雑度
- 92.9
実験および物理化学的性質
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
物理化学的性質
- 沸点
- 211 · 211-212 °C (lit.)
- 比重(密度)
- 0.926 g/mL · 0.926 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.5210(lit.)
- 闪点
- 178 °F · 178 °F
- 貯蔵温度
- 2 · 2-8°C, protect from light
- 酸解離定数(Pka)
- 9.2 · 9.20±0.10(Predicted)
- 外見
- clear liquid
- 色
- Colorless to Almost colorless
- InChI
- InChI=1S/C9H13N/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,10H2,1-2H3
- InChIKey
- UZDDXUMOXKDXNE-UHFFFAOYSA-N
- SMILES
- C1(C=CC(C)=CC=1)C(N)C
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H302 (73.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 142 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]
危険有害性情報
Regulatory Information
REACH registered substance: 1-(4-methylphenyl)ethylamine (EC: 443-160-0)
REACH registered substance: 1-(p-tolyl)ethanamine (EC: 937-697-4)
Hazard Classes and Categories
Acute Tox. 4 (93.2%)
Acute Tox. 4 (73.2%)
安全データ
- wgk
- 2
- ridadr
- NA 1993 / PGIII
- hs_code
- 2921.49.5000
- risk_code
- 37/38-41
- 消防法
- 危-4-3-III
- hazard_code
- Xi
- safety_code
- 26-39
- hazard_class
- IRRITANT
- packing_group
- III
- Hazard Classifications
- Acute Tox. 3 InhalationAcute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Skin Corr. 1B
- ストレージクラス
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
化学と産業
用途と製造
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
応用分野
使用1-(4-Methylphenyl)ethylamine (1-p-tolylethanamine) may be used in the preparation of 1,1′-(2-thienylmethylene) di-2-naphthol ethyl acetate solvate and (R)-N-(1-p-tolylethyl)-2-methoxyacetamide.
一般的な説明1-(4-Methylphenyl)ethylamine (1-p-tolylethanamine) is a chiral amine.
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関連反応
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化合物ノート
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