1-(1-フェニルシクロペンチル)メタンアミン

(1-Phenylcyclopentyl)methanamine

HCID 205131CAS 17511-89-6

部分構造検索類似構造を探す

基本情報

標準SMILES: NCC1(c2ccccc2)CCCC1
InChIKey: SJWOFBVBNFLWLP-UHFFFAOYSA-N
分子式: C12H17N
平均分子量: 175.27 g/mol
単同位体質量: 175.13609955

名称と識別子

優先名称: (1-Phenylcyclopentyl)methanamine
IUPAC: (1-phenylcyclopentyl)methanamine
現地名: 1-(1-フェニルシクロペンチル)メタンアミン
英語名: (1-PHENYLCYCLOPENTYL)METHYLAMINE
分子式: C12H17N
分子量: 175.27

名称と別名

(1-phenylcyclopentyl)methanamine1-(1-PHENYLCYCLOPENTYL)METHANAMINE1-Phenylcyclopentanemethanamine1-(1-phenylcyclopentyl)methylamineCyclopentanemethanamine, 1-phenyl-C-(1-Phenyl-cyclopentyl)-methylamine1-METHYLAMINE-1-BENZYL-CYCLOPENTANECyclopentanemethylamine, 1-phenyl-BRN 2936636UNII-03L0BL8FBICHEBI:39505DTXSID90169933

名称をさらに表示

1-(1-フェニルシクロペンチル)メタンアミン(1-phenylcyclopentyl)methanamine hydrochloride1-(1-phenylcyclopentyl)methanamine(SALTDATA: FREE)

4-12-00-02971 (Beilstein Handbook Reference)RefChem:68140DTXCID3092424843-912-117511-89-6(1-phenylcyclopentyl)methylamine1-PhenylcyclopentanemethylamineMFCD00995874

データベース識別子

CAS: 17511-89-6
PubChem CID: 205131
DTXSID: DTXSID90169933
ChEMBL: CHEMBL382127
ChEBI: CHEBI:39505
UNII: 03L0BL8FBI
EC Number: 843-912-1
Nikkaji: J77.969E

物性

構造計算による物性

XLogP: 2.6
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: 13
形式電荷: 0
複雑度: 153

物理化学的性質

沸点: 129 · 129-130 °C(Press: 7 Torr)
比重(密度): 0.995 · 0.995±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C, protect from light
酸解離定数(Pka): 10.27 · 10.27±0.29(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302+H312 (50%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 2 reports by companies from 2 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.