CAS 60407-35-4 1-Benzylpiperidin-3-amine (HCID 421694)

基本情報

CAS: 60407-35-4
標準SMILES: NC1CCCN(Cc2ccccc2)C1
InChIKey: HARWNWOLWMTQCC-UHFFFAOYSA-N
分子式: C12H18N2
平均分子量: 190.28 g/mol
単同位体質量: 190.14699858

名称と識別子

優先名称: 1-Benzylpiperidin-3-amine
IUPAC: 1-benzylpiperidin-3-amine
現地名: 3-アミノ-1-ベンジルピペリジン
英語名: 1-Benzyl-3-aminopiperidine
分子式: C12H18N2
分子量: 190.28

名称と別名

1-benzylpiperidin-3-amine60407-35-4DTXSID60329608RefChem:430036DTXCID80280707689-313-71-Benzyl-3-aminopiperidine3-Amino-1-benzylpiperidine1-Benzyl-piperidin-3-ylamine1-Benzylpiperidin-3-ylamineMFCD040384443-Piperidinamine, 1-(phenylmethyl)-

名称をさらに表示

3-アミノ-1-ベンジルピペリジン1-ベンジルピペリジン-3-アミン1-ベンジルピペリジン-3-アミン DIHYDROCHLORIDE1-ベンジル-3-アミノピペリジン1-ベンジル-3-ピペリジンアミンA401401-BENZYLPIPERIDINE-3-AMINE1-Benzyl-3-aminoxylpiperidine1-benzyl-piperidine-3-ylamine3-Amino-1-benzylpiperidine 2HCl

1-benzyl-3-piperidinylamineAKOS009209938AB13234AC-47681-BENZYL-3-PIPERIDINAMINECS-0141590F8881-1752(3S)-1-(Phenylmethyl)-3-piperidinamine

データベース識別子

CAS: 60407-35-4
PubChem CID: 421694
DTXSID: DTXSID60329608
ChEMBL: CHEMBL4538574
EC Number: 689-313-7
Nikkaji: J1.553.879A

物性

構造計算による物性

XLogP: 1.4
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: 14
形式電荷: 0
複雑度: 164

物理化学的性質

沸点: 82 °C/0.01mmHg · 82°C/0.01mmHg(lit.)
比重(密度): 1.037 · 1.037±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Keep in dark place,Inert atmosphere,2-8°C
溶解性: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
酸解離定数(Pka): 10.21 · 10.21±0.20(Predicted)
外見: powder to lump
色: White to Almost white
CAS データベース: 60407 · 60407-35-4(CAS DataBase Reference)

化学的性質

化学的特性White powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 3 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.