1-(4-Isopropylphenyl)ethanamine

HCID 3728039CAS 73441-43-7

基本情報

標準SMILES: CC(C)c1ccc(C(C)N)cc1
InChIKey: UHAQMLODFYUKOM-UHFFFAOYSA-N
分子式: C11H17N
平均分子量: 163.26 g/mol

名称と識別子

優先名称: 1-(4-Isopropylphenyl)ethanamine
IUPAC: 1-(4-propan-2-ylphenyl)ethanamine
英語名: Benzenemethanamine, alpha-methyl-4-(1-methylethyl)- (9CI)
分子式: C11H17N
分子量: 163.26

名称と別名

1-(4-isopropylphenyl)ethanamine73441-43-71-(4-Isopropyl-phenyl)-ethylamine1-(4-propan-2-ylphenyl)ethanamineMFCD021773061-[4-(propan-2-yl)phenyl]ethan-1-amineBenzenemethanamine, alpha-methyl-4-(1-methylethyl)- (9CI)1-(4-ISOPROPYLPHENYL)ETHAN-1-AMINE1-[4-(methylethyl)phenyl]ethylamine1-[4-(propan-2-yl)phenyl]ethanamineBenzenemethanamine, alpha-methyl-4-(1-methylethyl)-, (alphaR)-Benzenemethanamine, alpha-methyl-4-(1-methylethyl)-, (alphaS)-

名称をさらに表示

α-methyl-4-isopropylbenzylamineα-Methyl-4-(1-methylethyl)benzenemethanamineBenzenemethanamine, α-methyl-4-(1-methylethyl)-1-(4-isopropylphenyl)ethanamine(SALTDATA: FREE)

1-(4-isopropylphenyl)ethylamine(1R)-1-(4-isopropylphenyl)ethanamineSCHEMBL21870801-(4-isopropylphenyl) ethylamineUHAQMLODFYUKOM-UHFFFAOYSA-NHMS1789L12alpha-methyl-4-isopropylbenzylamineALBB-000313

データベース識別子

CAS: 73441-43-7
PubChem CID: 3728039
EC Number: 890-097-3

物性

構造計算による物性

XLogP: 2.3
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: 12
形式電荷: 0
複雑度: 123

物理化学的性質

沸点: 111 · 111-113 °C(Press: 15 Torr)
比重(密度): 0.923 · 0.923±0.06 g/cm3(Predicted)
酸解離定数(Pka): 9.18 · 9.18±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

hazard_class: IRRITANT

化学と産業

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