기본 정보
- 표준 SMILES
COC(CN)OC- InChIKey
QKWWDTYDYOFRJL-UHFFFAOYSA-N- 분자식
- C4H11NO2
- 평균 분자량
- 105.14 g/mol
- 단동위원소 질량
- 105.07897859
이름 및 식별자
- 우선 이름
- Aminoacetaldehyde dimethyl acetal
- IUPAC
- 2,2-dimethoxyethanamine
- 현지명
- 아미노아세트알데하이드디메틸아세탈
- 영어명
- Aminoacetaldehyde dimethyl acetal
- 분자식
- C4H11NO2
- 분자량
- 105.14
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
22483-09-6- PubChem CID
- 89728
- DTXSID
DTXSID7066803- UNII
- XF4JYB7VV5
- EC Number
- 245-026-5
- Nikkaji
- J26.136J
물성
구조 계산 물성
- XLogP
- -0.8
- 극성 표면적
- 44.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 36.7
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- -78 °C · -78°C
- 끓는 점
- 135 · 135-139 °C/95 mmHg (lit.)
- 밀도
- 0.965 g/mL · 0.965 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.417(lit.)
- 인화점
- 128 °F · 128 °F
- 저장 조건
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- 용해도
- 클로로포름, 메탄올에 용해됨
- 산도 계수 (pKa)
- 6.95 · 6.95±0.10(Predicted)
- 물리적 상태
- 액체
- 색상
- 무색~담황색 투명
- 수용성
- 혼용 가능
- BRN
- 741868 · 741868
- InChI
- 1S/C4H11NO2/c1-6-4(3-5)7-2/h4H,3,5H2,1-2H3
- InChIKey
- QKWWDTYDYOFRJL-UHFFFAOYSA-N
- SMILES
- COC(CN)OC
- NIST
- Aminoacetaldehyde dimethyl acetal(22483-09-6)
- EPA
- 2 · Ethanamine, 2,2-dimethoxy- (22483-09-6)
화학적 성질
clear colorless to pale yellow liquid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 1.4% (1 of 69) of reports.
Danger
H226 (98.6%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 69 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Ethanamine, 2,2-dimethoxy-
Status: Active Update: 04-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/21032
Aminoacetaldehyde dimethyl acetal: Does not have an individual approval but may be used under an appropriate group standard
안전 및 보호
Protective Action Criteria (PAC)
12 [mg/m3]
130 [mg/m3]
790 [mg/m3]
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- HS 번호
- 29225000
- risk_code
- 10-34-36/37/38
- hazard_code
- C,F,Xi
- safety_code
- 26-36/37/39-45-16-36
- 포장분류
- III
- 위험 등급
- 3
- 위험 참고 사항
- Flammable/Corrosive
- Hazard Classifications
- Flam. Liq. 3Skin Corr. 1B
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
응용 분야
개요Aminoacetaldehyde dimethyl acetal, also known as 2,2-dimethoxy-ethylamine, is a critical intermediate in the synthesis of ivabradine hydrochloride, proline analogs, praziquantel, and other raw materials. The existing process for producing aminoacetal dimethyl acetate uses vinyl acetate as the starting material, and the target product is synthesized through bromination, Gabriel synthesis, and hydrazinolysis.
용도Amino acetaldehyde dimethyl was used in preparation of chitosan- dendrimer hybrids having various functional groups such as carboxyl, ester and poly(ethylene glycol). It was used in an synthesis of a bicyclic proline analog from L-ascorbic acid and in 3-component reaction catalyzed by MgClO4 leading to α-aminophosphonates.
일반 설명Aminoacetaldehyde dimethyl acetal reacts with sulfone, followed by hydrolysis and reductive amination by adding desired piperazine derivative to yield piperazine derivatives of 2-furanyl[1,2,4]triazolo[1,5-a][1,3,5]triazine.
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