[4-(1-ピロリジニル)フェニル]メタンアミン

4-(Pyrrolidin-1-yl)benzylamine

HCID 7017834

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 114365-04-7
標準SMILES: NCc1ccc(N2CCCC2)cc1
InChIKey: OCVQUKOCFUOCBM-UHFFFAOYSA-N
分子式: C11H16N2
平均分子量: 176.26 g/mol
単同位体質量: 176.13134852

名称と識別子

優先名称: 4-(Pyrrolidin-1-yl)benzylamine
IUPAC: (4-pyrrolidin-1-ylphenyl)methanamine
現地名: [4-(1-ピロリジニル)フェニル]メタンアミン
英語名: 4-(PYRROLIDIN-1-YL)BENZYLAMINE
分子式: C11H16N2
分子量: 176.26

名称と別名

4-(pyrrolidin-1-yl)benzylamineRefChem:516876641-311-7(4-(pyrrolidin-1-yl)phenyl)methanamine114365-04-74-Pyrrolidin-1-yl-benzylamine(4-pyrrolidin-1-ylphenyl)methanamine[4-(1-pyrrolidinyl)phenyl]methanamineMFCD04971090[4-(pyrrolidin-1-yl)phenyl]methanamineBenzenemethanamine, 4-(1-pyrrolidinyl)-1-[4-(pyrrolidin-1-yl)phenyl]methanamine

名称をさらに表示

[4-(1-ピロリジニル)フェニル]メタンアミンST5334145AKOS B022103ART-CHEM-BB B022103(4-(Pyrrolidin-1-yl)4-(Pyrrolidin-1-yl)benzylamine97%4-(Pyrrolidin-1-yl)benzylamine 97%[4-(1-PYRROLIDINYL)PHENYL]METHYLAMINE

(4-pyrrolidinylphenyl)methylamine4-pyrrolidinobenzylamineSCHEMBL1125804-(1-pyrrolidinyl)benzylamineSCHEMBL4573969SCHEMBL27585374DTXSID40426907OCVQUKOCFUOCBM-UHFFFAOYSA-N

データベース識別子

CAS: 114365-04-7
PubChem CID: 7017834
DTXSID: DTXSID40426907
EC Number: 641-311-7

物性

構造計算による物性

XLogP: 2.4
極性表面積: 29.3 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: 13
形式電荷: 0
複雑度: 144

物理化学的性質

融点: 47 · 47-50°
沸点: 327 · 327.0±25.0 °C(Predicted)
比重(密度): 1.075 · 1.075±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
酸解離定数(Pka): 9.66 · 9.66±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal]；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]；H331 (50%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P361+P364, 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.