(R)-1-(3-メトキシフェニル)エタンアミン

(R)-1-(3-Methoxyphenyl)ethylamine

HCID 7020759

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部分構造検索類似構造を探す

基本情報

CAS: 88196-70-7
標準SMILES: COc1cccc([C@@H](C)N)c1
InChIKey: CJWGCBRQAHCVHW-SSDOTTSWSA-N
分子式: C9H13NO
平均分子量: 151.21 g/mol
単同位体質量: 151.09971404

名称と識別子

優先名称: (R)-1-(3-Methoxyphenyl)ethylamine
IUPAC: (1R)-1-(3-methoxyphenyl)ethanamine
現地名: (R)-1-(3-メトキシフェニル)エタンアミン
英語名: (R)-1-(3-Methoxyphenyl)ethylamine
分子式: C9H13NO
分子量: 151.21

名称と別名

88196-70-7(R)-1-(3-Methoxyphenyl)ethylamineRefChem:70220618-126-5(R)-1-(3-Methoxyphenyl)ethanamine(1R)-1-(3-methoxyphenyl)ethanamineMFCD00671655(1R)-1-(3-methoxyphenyl)ethan-1-amine(R)-(+)-1-(3-Methoxyphenyl)ethylamineEC 618-126-5(R)-1-(3-methoxyphenyl) ethanamineAKOS012536234

名称をさらに表示

(R)-1-(3-メトキシフェニル)エタンアミンZERO/0094183-Methoxy-a-Methyl-(S)-3-(1-Aminoethyl)anisole1-(R)-(3-METHOXYPHENYL)ETHYLAMINE(R)-3-Methoxy-α-methylbenzylamine(1S)-1-(3-METHOXYPHENYL)ETHANAMINE(1R)-1-(3-methoxyphenyl) ethanamine

(R)-(+)-1-(3-methoxyphenyl)-ethylamine(R)-3-methoxy-alpha-methylbenzylaminePhenol,3-[(1R)-1-aminoethyl]-(1R)-1-(3-methoxyphenyl)ethylamine(r)-1-(3-methoxyphenyl) ethylamineBenzenemethanamine,3-methoxy-a-methyl-,(aR)-SCHEMBL335622SCHEMBL2584131

データベース識別子

CAS: 88196-70-7
PubChem CID: 7020759
DTXSID: DTXSID301299481
EC Number: 618-126-5
Nikkaji: J735.530K

物性

構造計算による物性

XLogP: 1.6
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: 2
重原子数: 11
形式電荷: 0
複雑度: 116

物理化学的性質

融点: 5 ℃ · 5℃
沸点: 66 °C · 66°C 0,4mm
比重(密度): 1.023 · 1.023
蒸気圧: 3.7 · 3.7-35Pa at 20-50℃
屈折率: 1.5335 · 1.5335
闪点: 66 °C/0.38mm · 66°C/0.38mm
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
水溶解度: 20 ℃で10g/L）。 · 水に可溶（20℃で10g/L）。
BRN: 6683688 · 6683688
LogP: 1.5 at · 1.5 at 23℃ and pH10.5
CAS データベース: 88196 · 88196-70-7(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (73.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 148 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 23-10-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/10098

Hazard Classes and CategoriesAcute Tox. 4 (73.6%)

安全データ

wgk: 3
ridadr: 2735
risk_code: 21/22-34-20
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III

化学と産業

応用分野

使用(R)-(+)-1-(3-Methoxyphenyl)ethylamine is used in dietary supplements and cosmeticeuticals. It is a important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.