디메틸아세트아미드디메틸아세탈

1,1-Dimethoxyethyl(dimethyl)amine

HCID 87835CAS 18871-66-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(C)(OC)N(C)C
InChIKey: FBZVZUSVGKOWHG-UHFFFAOYSA-N
분자식: C6H15NO2
평균 분자량: 133.19 g/mol
단동위원소 질량: 133.11027872

이름 및 식별자

우선 이름: 1,1-Dimethoxyethyl(dimethyl)amine
IUPAC: 1,1-dimethoxy-N,N-dimethylethanamine
현지명: 디메틸아세트아미드디메틸아세탈
영어명: 1,1-Dimethoxy-N,N-dimethylethylamine
분자식: C6H15NO2
분자량: 133.19

이름 및 동의어

18871-66-4Ethanamine, 1,1-dimethoxy-N,N-dimethyl-1,1-Dimethoxyethyl(dimethyl)aminedimethylacetamide dimethyl acetalEINECS 242-641-0DTXSID10172242RefChem:409937DTXCID5094733242-641-0N,N-Dimethylacetamide dimethyl acetal1,1-dimethoxy-n,n-dimethylethanamine1,1-Dimethoxy-N,N-dimethylethylamine

이름 더 보기

디메틸아세트아미드디메틸아세탈1,1-디메톡시-N,N-디메틸에틸아민N,N' DIMETHYLACacetamide dimethyL1,1-Dimethoxy-N,N-diEmpagliflozin Impurity 196DimethylacetamideDimethylacetal1,1-Dimethoxy-N,N-dimethylamine

(1,1-dimethoxyethyl)dimethylamineMFCD000084761,1-dimethoxy-N,N-dimethylethan-1-amineN,N-Dimethylacetamide dimethylacetalN,N-Dimethylacetamide dimethyl acetal, stabilized with 5-10% Methanol(1,1-Dimethoxy-ethyl)-dimethyl-amineDimethylacetamide DimethylacetalN-(1,1-Dimethoxyethyl)dimethylamine

데이터베이스 식별자

CAS: 18871-66-4
PubChem CID: 87835
DTXSID: DTXSID10172242
UNII: H3SW669ZSK
EC Number: 242-641-0
Nikkaji: J208.388D

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 21.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 9
형식 전하: 0
복잡도: 79.1

물리화학적 성질

끓는 점: 118 °C · 118 °C(lit.)
밀도: 0.911 g/mL · 0.911 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.411(lit.)
인화점: 47 °F · 47 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
산도 계수 (pKa): 5.08 · 5.08±0.50(Predicted)
색상: 무색의
수용성: 물에서 가수분해됩니다.
BRN: 1420865 · 1420865
InChI: InChI=1S/C6H15NO2/c1-6(8-4,9-5)7(2)3/h1-5H3
InChIKey: FBZVZUSVGKOWHG-UHFFFAOYSA-N
SMILES: C(N(C)C)(OC)(OC)C
NIST: N,N-Dimethylacetamide dimethyl acetal(18871-66-4)

화학적 성질

clear yellow to brown liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (92%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P308+P316, P317, P319, P321, P330, 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 50 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Ethanamine, 1,1-dimethoxy-N,N-dimethyl-

1,1-Dimethoxyethyl(dimethyl)amine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 2 (92%)

안전 데이터

wgk: 3
ridadr: UN 1993 3/PG 2
HS 번호: 29241990
risk_code: 11-20/21/22-36/37/38-68/20/21/22-68
hazard_code: F,Xn
safety_code: 26-36/37-36/37/39-16
포장분류: II
위험 등급: 3
기존화학 물질: KE-11115
F 고인화성물질: 8-10-21
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야

용도N,N-Dimethylacetamide dimethyl acetal has been used as:one carbon inserting synthon in preparation of pyrimido[1,2-a][1,3,5]triazin-6-onesreagent for the synthesis of amides, diacylamines and heterocycles

일반 설명Claisen type reaction of N,N-dimethylacetamide dimethyl acetal using optically active trans-3-penten-2-ol as substrate has been investigated.