(R)-(+)-1-フェニルプロピルアミン

(R)-1-Phenylpropylamine

HCID 5324978CAS 3082-64-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CC[C@@H](N)c1ccccc1
InChIKey: AQFLVLHRZFLDDV-SECBINFHSA-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: (R)-1-Phenylpropylamine
IUPAC: (1R)-1-phenylpropan-1-amine
現地名: (R)-(+)-1-フェニルプロピルアミン
英語名: (R)-(+)-1-Phenylpropylamine
分子式: C9H13N
分子量: 135.21

名称と別名

(R)-1-Phenylpropylamine(+)-1-PhenylpropylamineRefChem:407132608-544-63082-64-2(R)-(+)-1-Phenylpropylamine(R)-1-phenylpropan-1-amine(1R)-1-phenylpropan-1-amine(R)-(+)-alpha-EthylbenzylamineMFCD00083057(R)-alpha-ethylbenzylamine(R)-(+)-1-Amino-1-phenylpropane

名称をさらに表示

(R)-(+)-1-フェニルプロピルアミンR(+)-A-ETHYLBENZYLAMINE(R)-1-PhenylpropanaMineD-ALPHA-ETHYLBENZYLAMINE(R)-(+)-ETHYLBENZYLAMINE(R)-(+)-PHENYLPROPYLAMINE

(R)-(+)-alpha -Ethylbenzylamine(R)-(+)-a-Ethylbenzylamine(1R)-1-PhenylpropylamineR(+)-alpha-ethylbenzylamine(alphaR)-alpha-Ethylbenzenemethanamine(1r)-phenylpropylamine1(r)-phenylpropylamineGX79CZZ2QV

データベース識別子

CAS: 3082-64-2
PubChem CID: 5324978
DTXSID: DTXSID00415973
UNII: GX79CZZ2QV
EC Number: 608-544-6
Nikkaji: J57.047H

物性

構造計算による物性

XLogP: 1.7
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: 2
重原子数: 10
形式電荷: 0
複雑度: 84

物理化学的性質

融点: -69 °C · -69°C
沸点: 205 °C · 205°C
比旋光度: 20 · 20 º (neat)
比重(密度): 0.94 g/mL · 0.940 g/mL at 20 °C(lit.)
蒸気圧: 26.5 Pa · 26.5Pa at 20℃
屈折率: 20 · n20/D 1.520
闪点: 77 °C · 77°C
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
溶解性: クロロホルム、酢酸エチル
外見: 油
酸解離定数(Pka): 9.34 · 9.34±0.10(Predicted)
色: 無色透明
BRN: 3029904 · 3029904
InChI: 1S/C9H13N/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9H,2,10H2,1H3/t9-/m1/s1
InChIKey: AQFLVLHRZFLDDV-SECBINFHSA-N
SMILES: CC[C@@H](N)c1ccccc1
CAS データベース: 3082 · 3082-64-2(CAS DataBase Reference)

化学的性質

化学的特性Clear Colourless Oil

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (70%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (30%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (69.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H411 (72.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 150 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.