ジメチル(ジイソプロポキシメチル)アミン

N,N,N-trimethyl-1,1-bis(1-methylethoxy)amine

HCID 87682CAS 18503-89-4

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)OC(OC(C)C)N(C)C
InChIKey: XOZZATXWQMOVHL-UHFFFAOYSA-N
分子式: C9H21NO2
平均分子量: 175.27 g/mol
単同位体質量: 175.15722891

名称と識別子

優先名称: N,N,N-trimethyl-1,1-bis(1-methylethoxy)amine
IUPAC: N,N-dimethyl-1,1-di(propan-2-yloxy)methanamine
現地名: ジメチル(ジイソプロポキシメチル)アミン
英語名: N,N-Dimethylformamide diisopropyl acetal
分子式: C9H21NO2
分子量: 175.27

名称と別名

18503-89-4N,N-Dimethyl-1,1-bis(1-methylethoxy)methanamineN,N,N-Trimethyl-1,1-bis(1-methylethoxy)amineEINECS 242-386-5DTXSID20171701RefChem:822078DTXCID6094192242-386-5N,N-Dimethylformamide diisopropyl acetal1,1-diisopropoxy-n,n-dimethylmethanamineN,N-dimethyl-1,1-di(propan-2-yloxy)methanamineMFCD00008879

名称をさらに表示

N,N-ジメチル-α,α-ビス(イソプロピルオキシ)メタンアミンジメチル(ジイソプロポキシメチル)アミンN,N-ジメチルホルムアミドジイソプロピルアセタールSKL1154diisopropoxymethyl(dimethyl)aminediisopropoxy-N,N-dimethylmethanamine1,1‐Bis‐(1‐methylethoxy)‐trimethylamineN,N-DIMETHYLFORMAMIDE DI-N-PROPYL ACETAL

Methanamine, N,N-dimethyl-1,1-bis(1-methylethoxy)-[bis(propan-2-yloxy)methyl]dimethylaminedimethylformamide diisopropylacetal1,1-Diisopropoxytrimethylamine1,1-Diisopropoxy-N,N-dimethylmethylamineDimethyl(diisopropoxymethyl)amineDMF diisopropyl acetalN,N-DIMETHYLFORMAMIDE DIMETHYLACETATE

データベース識別子

CAS: 18503-89-4
PubChem CID: 87682
DTXSID: DTXSID20171701
UNII: NZF48578HE
EC Number: 242-386-5
Nikkaji: J149.893B

物性

構造計算による物性

XLogP: 1.8
極性表面積: 21.7 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 5
重原子数: 12
形式電荷: 0
複雑度: 103

物理化学的性質

沸点: 79 · 79-80 °C60 mm Hg(lit.)
比重(密度): 0.838 g/mL · 0.838 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.409(lit.)
闪点: 74 °F · 74 °F
貯蔵温度: -20 °C, · -20°C, protect from light
外見: liquid
酸解離定数(Pka): 5.47 · 5.47±0.50(Predicted)
BRN: 1901978 · 1901978
InChI: InChI=1S/C9H21NO2/c1-7(2)11-9(10(5)6)12-8(3)4/h7-9H,1-6H3
InChIKey: XOZZATXWQMOVHL-UHFFFAOYSA-N
SMILES: C(OC(C)C)(OC(C)C)N(C)C
CAS データベース: 18503 · 18503-89-4(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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.