(S)-2α-ベンジルピロリジン

2-Benzylpyrrolidine

HCID 339556CAS 35840-91-6

部分構造検索類似構造を探す

基本情報

標準SMILES: c1ccc(CC2CCCN2)cc1
InChIKey: NKHMSOXIXROFRU-UHFFFAOYSA-N
分子式: C11H15N
平均分子量: 161.24 g/mol
単同位体質量: 161.12044948

名称と識別子

優先名称: 2-Benzylpyrrolidine
IUPAC: 2-benzylpyrrolidine
現地名: (S)-2α-ベンジルピロリジン
英語名: 2-Benzylpyrrolidine
分子式: C11H15N
分子量: 161.24

名称と別名

2-Benzylpyrrolidine35840-91-6RefChem:465723690-463-0PYRROLIDINE, 2-(PHENYLMETHYL)-MFCD016318392-benzyl-pyrrolidinerac-2-benzylpyrrolidinepyrrolidine, 2-benzyl-rac.-2-benzylpyrrolidineSCHEMBL52608(2RS)-2-benzyl-pyrrolidine

名称をさらに表示

(S)-2-ベンジルピロリジン2α-ベンジルピロリジン(S)-2α-ベンジルピロリジン2-ベンジルピロリジン(S)-2-Benzylpyrrolidine2-Benzylpyrrolidine 98%2-(Phenylmethyl)pyrrolidinealpha-(Pyrrolidin-2-yl)toluene[(Pyrrolidin-2-yl)methyl]benzene

SCHEMBL167190SCHEMBL1036252SCHEMBL6405531SCHEMBL6572638SCHEMBL27335607DTXSID30902624NKHMSOXIXROFRU-UHFFFAOYSA-NAR1052

データベース識別子

CAS: 35840-91-6
PubChem CID: 339556
DTXSID: DTXSID30902624
EC Number: 690-463-0
Nikkaji: J1.724.454J

物性

構造計算による物性

XLogP: 2.3
極性表面積: 12 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: 127

物理化学的性質

沸点: 96 · 96-97 °C(Press: 2 Torr)
比重(密度): 0.988 · 0.988±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C(protect from light)
酸解離定数(Pka): 1 · pK1: 10.31(+1) (25°C)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 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.