(ベンジルアミノ)アセトアルデヒドジエチルアセタール

(Benzylamino)acetaldehyde diethyl acetal

HCID 521961

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 61190-10-1
標準SMILES: CCOC(CNCc1ccccc1)OCC
InChIKey: SXFVQTYQHWRYOS-UHFFFAOYSA-N
分子式: C13H21NO2
平均分子量: 223.31 g/mol
単同位体質量: 223.15722891

名称と識別子

優先名称: (Benzylamino)acetaldehyde diethyl acetal
IUPAC: N-benzyl-2,2-diethoxyethanamine
現地名: (ベンジルアミノ)アセトアルデヒドジエチルアセタール
英語名: N-Benzylaminoacetaldehyde diethyl acetal
分子式: C13H21NO2
分子量: 223.31

名称と別名

(Benzylamino)acetaldehyde diethyl acetalRefChem:405848641-185-361190-10-1N-Benzyl-2,2-diethoxyethanamineN-Benzylaminoacetaldehyde diethyl acetalMFCD00051599(2,2-diethoxyethyl)benzylaminebenzyl(2,2-diethoxyethyl)amineN-Benzyl-N-(2,2-diethoxyethyl)amineSCHEMBL289500CHEMBL5075867

名称をさらに表示

2-(ベンジルアミノ)アセトアルデヒドジエチルアセタールN-ベンジル-2,2-ジエトキシエタンアミン(ベンジルアミノ)アセトアルデヒドジエチルアセタールN-ベンジルアミノアセトアルデヒドジエチルアセタールN-ベンジルアミノアセトアルデヒドジエチルアセタル2,2-diethoxyethyl-(phenylmethyl)ammoniumN-Benzyl-N-(2,2-diethoxyethyl)amine, 95+%Benzenemethanamine, N-(2,2-diethoxyethyl)-2-(Benzylamino)acetaldehyde diethyl acetal

n-benzyl-2,2-diethoxy-ethanaminebenzylaminoacetaldehyde diethylacetalN-Benzyl-2,2-diethoxyethanamine #Benzyl-(2,2-diethoxy-ethyl)-amineN-benzyl-2,2-diethoxyethan-1-amineSBB096524n-benzylaminoacetaldehyde diethylacetalAKOS017272998

データベース識別子

CAS: 61190-10-1
PubChem CID: 521961
ChEMBL: CHEMBL5075867
EC Number: 641-185-3
Nikkaji: J308.909F

物性

構造計算による物性

XLogP: 1.9
極性表面積: 30.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 8
重原子数: 16
形式電荷: 0
複雑度: 152

物理化学的性質

沸点: 115 · 115-117°C 1mm
比重(密度): 0.985 · 0.985±0.06 g/cm3(Predicted)
屈折率: 1.489 · 1.4890
闪点: 115 · 115-117°C/1mm
酸解離定数(Pka): 7.53 · 7.53±0.29(Predicted)
BRN: 2694610 · 2694610
CAS データベース: 61190 · 61190-10-1(CAS DataBase Reference)
NISTの化学物質情報: N-benzylaminoacetaldehyde diethyl acetal(61190-10-1)

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 (100%): 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 6 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.