1-ベンズヒドリルアゼチジン-3-アミン

3-Amino-1-(diphenylmethyl)azetidine

HCID 5744546CAS 40432-52-8

部分構造検索類似構造を探す

基本情報

標準SMILES: NC1CN(C(c2ccccc2)c2ccccc2)C1
InChIKey: LYTNNHXGUOKXFI-UHFFFAOYSA-N
分子式: C16H18N2
平均分子量: 238.33 g/mol
単同位体質量: 238.14699858

名称と識別子

優先名称: 3-Amino-1-(diphenylmethyl)azetidine
IUPAC: 1-benzhydrylazetidin-3-amine
現地名: 1-ベンズヒドリルアゼチジン-3-アミン
英語名: 3-Amino-1-diphenylmethylazetidine
分子式: C16H18N2
分子量: 238.33

名称と別名

3-AMINO-1-(DIPHENYLMETHYL)AZETIDINE1-(diphenylmethyl)-3-azetidinamineRefChem:496764640-915-81-benzhydrylazetidin-3-amine40432-52-83-amino-1-diphenylmethylazetidine1-(diphenylmethyl)azetidin-3-amine1-benzhydryl-3-aminoazetidineMFCD030933861-benzhydryl-azetidin-3-ylamine852655-92-6

名称をさらに表示

1-ベンズヒドリルアゼチジン-3-アミン3-アミノ-1-(ジフェニルメチル)アゼチジン3-アミノ-1-ジフェニルメチルアゼチジンCompound FL0008BUTTPARK 92\50-953-amino-1-benzhylazetidine3-Amino-1-(diphenylmethyl...3-AMINO-1-BENZHYDRYLAZETIDINE3-Amino-1-Diphenylmethylazetid1-Benzhydrylazetidin-3-amine 97%

3-Azetidinamine, 1-(diphenylmethyl)-1-benzhydryl-3-azetanamineSCHEMBL724661-benzhydrylazetidin-3-ylamine3-amino-1-benzhydryl azetidineorb3169848SCHEMBL5695024DTXSID40960831

データベース識別子

CAS: 40432-52-8
PubChem CID: 5744546
DTXSID: DTXSID40960831
EC Number: 640-915-8
Nikkaji: J2.411.778B

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: 3
重原子数: 18
形式電荷: 0
複雑度: 230

物理化学的性質

融点: 63 °C · 63 °C
沸点: 339.2 · 339.2±42.0 °C(Predicted)
比重(密度): 1.125 · 1.125±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Storage temp. 2-8°C
酸解離定数(Pka): 8.48 · 8.48±0.20(Predicted)
外見: powder to crystal
色: White to Orange to Green
InChI: InChI=1S/C16H18N2/c17-15-11-18(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12,17H2
InChIKey: LYTNNHXGUOKXFI-UHFFFAOYSA-N
SMILES: N1(C(C2=CC=CC=C2)C2=CC=CC=C2)CC(N)C1
CAS データベース: 40432 · 40432-52-8(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

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): 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 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.