N-ベンジルホルムアミド

N-Benzylformamide

HCID 80654CAS 6343-54-0

部分構造検索類似構造を探す

基本情報

標準SMILES: O=CNCc1ccccc1
InChIKey: IIBOGKHTXBPGEI-UHFFFAOYSA-N
分子式: C8H9NO
平均分子量: 135.16 g/mol
単同位体質量: 135.06841391

名称と識別子

優先名称: N-Benzylformamide
IUPAC: N-benzylformamide
現地名: N-ベンジルホルムアミド
英語名: N-BENZYLFORMAMIDE
分子式: C8H9NO
分子量: 135.16

名称と別名

N-Benzylformamide6343-54-0benzylformamideNSC-16247L363D92ELKCHEBI:41117DTXSID40212842RefChem:162958DTXCID70135333228-739-6Benzyl formamideN-Formylbenzylamine

名称をさらに表示

N-ベンジルホルムアミドN-ホルミルベンジルアミンN-ホルミルベンゼンメタンアミンホルミルベンジルアミンベンジルアミノホルムアルデヒドN-BenzylformamidVITAS-BB TBB000670Formamide,N-benzyl-N-Benzylformamide>N-Benzylformamide,99%

Formamide, N-(phenylmethyl)-N-(phenylmethyl)formamideN-benzyl-formamideMFCD00003281UNII-L363D92ELKCHEMBL46293NSC16247DB02481

データベース識別子

CAS: 6343-54-0
PubChem CID: 80654
DTXSID: DTXSID40212842
ChEMBL: CHEMBL46293
ChEBI: CHEBI:41117
UNII: L363D92ELK
EC Number: 228-739-6
Nikkaji: J206.948B

物性

構造計算による物性

XLogP: 1
極性表面積: 29.1 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: 10
形式電荷: 0
複雑度: 97

実験および物理化学的性質

Kovats Retention Index1402

物理化学的性質

融点: 60 · 60-61 °C(lit.)
沸点: 248.86 °C · 248.86°C (rough estimate)
比重(密度): 1.1031 · 1.1031 (rough estimate)
屈折率: 1.5635 · 1.5635 (rough estimate)
貯蔵温度: -20 °C, · -20°C, Inert atmosphere
溶解性: クロロホルム（微量）、DMSO（微量）、メタノール（微量）
外見: 個体
酸解離定数(Pka): 16.35 · 16.35±0.23(Predicted)
色: 白色～淡黄色

化学的性質

化学的特性WHITE TO OFF-WHITE CRYSTALLINE POWDER

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H334 (97.5%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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.