CAS 16042-92-5 2-(Dimethylamino)-2-methylpropanal (HCID 231652)

基本情報

CAS: 16042-92-5
標準SMILES: CN(C)C(C)(C)C=O
InChIKey: HQVOWZWVYHHPHA-UHFFFAOYSA-N
分子式: C6H13NO
平均分子量: 115.17 g/mol
単同位体質量: 115.09971404

名称と識別子

優先名称: 2-(Dimethylamino)-2-methylpropanal
IUPAC: 2-(dimethylamino)-2-methylpropanal
英語名: 2-(dimethylamino)-2-methylpropanal
分子式: C6H13NO
分子量: 115.17

名称と別名

2-(dimethylamino)-2-methylpropanal16042-92-5DTXSID40282823RefChem:253810DTXCID20233974836-488-4MFCD19300711Propanal, 2-(dimethylamino)-2-methyl-NSC28116SCHEMBL299989SCHEMBL2195812HQVOWZWVYHHPHA-UHFFFAOYSA-N

名称をさらに表示

Pentanoylchloride,6-propyl-

2-(dimethylamino)-2-methyl-propanalNSC-28116AKOS022504421BS-52575SY359200DB-121782E83311EN300-258570

データベース識別子

CAS: 16042-92-5
PubChem CID: 231652
DTXSID: DTXSID40282823
EC Number: 836-488-4

物性

構造計算による物性

XLogP: 0.4
極性表面積: 20.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 8
形式電荷: 0
複雑度: 86

物理化学的性質

沸点: 126 · 126-129 °C
比重(密度): 0.8817 g/cm3 · 0.8817 g/cm3
酸解離定数(Pka): 7.77 · 7.77±0.50(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.