4-ジメチルアミノ-1-ブタノール

4-(Dimethylamino)butan-1-ol

HCID 83350CAS 13330-96-6

部分構造検索類似構造を探す

基本情報

標準SMILES: CN(C)CCCCO
InChIKey: QCTOLMMTYSGTDA-UHFFFAOYSA-N
分子式: C6H15NO
平均分子量: 117.19 g/mol
単同位体質量: 117.1153641

名称と識別子

優先名称: 4-(Dimethylamino)butan-1-ol
IUPAC: 4-(dimethylamino)butan-1-ol
現地名: 4-ジメチルアミノ-1-ブタノール
英語名: 4-Dimethylamino-1-butanol
分子式: C6H15NO
分子量: 117.19

名称と別名

4-(Dimethylamino)butan-1-olEINECS 236-380-1DTXSID20158052NSC 165645RefChem:515970DTXCID4080543236-380-113330-96-64-Dimethylamino-1-butanol4-(Dimethylamino)-1-butanol1-Butanol, 4-(dimethylamino)-4-Dimethylaminobutan-1-ol

名称をさらに表示

4-ジメチルアミノ-1-ブタノール4-(ジメチルアミノ)-1-ブタノール4-ジメチルアミノ-1-ブタノ-ル4-(ジメチルアミノ)ブタン-1-オールdimethylaminobutanol4-DIMETHYLAMINO BUTANOL-14-DIMETHYLAMINO-1-BUTANOL 98%4-Dimethylamino-1-butanol >4-DIMETHYLAMINO-1-BUTANOL USP/EP/BP

MFCD00020624SCHEMBL94134-(N,N-dimethylamino)butanol4-(N,N-dimethylamino]butan-1-olCS-W022016D1659O11091EN300-1852954

データベース識別子

CAS: 13330-96-6
PubChem CID: 83350
DTXSID: DTXSID20158052
EC Number: 236-380-1
Nikkaji: J208.391D

物性

構造計算による物性

XLogP: 0.3
極性表面積: 23.5 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: 4
重原子数: 8
形式電荷: 0
複雑度: 45

物理化学的性質

沸点: 188 °C · 188°C
比重(密度): 0 · 0,88 g/cm3
屈折率: 1.439 · 1.4390-1.4420
貯蔵温度: Sealed in dry,Room Temperature
外見: clear liquid
酸解離定数(Pka): 15.13 · 15.13±0.10(Predicted)
色: Colorless to Almost colorless
InChI: InChI=1S/C6H15NO/c1-7(2)5-3-4-6-8/h8H,3-6H2,1-2H3
InChIKey: QCTOLMMTYSGTDA-UHFFFAOYSA-N
SMILES: C(O)CCCN(C)C

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory.；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.