1-Propanaminium, 3-chloro-2-hydroxy-N,N-dimethyl-N-(2-((2-methyl-1-oxo-2-propen-1-yl)oxy)ethyl)-, nitrate (1:1)

HCID 3034786CAS 67596-04-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
C=C(C)C(=O)OCC[N+](C)(C)CC(O)CCl.O=[N+]([O-])[O-]
InChIKey
PBTJSEJAYNNNMM-UHFFFAOYSA-N
분자식
C11H21ClNO3.NO3
평균 분자량
312.75 g/mol
단동위원소 질량
312.10881407

이름 및 식별자

우선 이름
1-Propanaminium, 3-chloro-2-hydroxy-N,N-dimethyl-N-(2-((2-methyl-1-oxo-2-propen-1-yl)oxy)ethyl)-, nitrate (1:1)
IUPAC
(3-chloro-2-hydroxypropyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium nitrate
영어명
(3-chloro-2-hydroxypropyl)dimethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium nitrate
분자식
C11H21ClN2O6
분자량
312.74724

이름 및 동의어

67596-04-7EINECS 266-750-8(2-Hydroxy-3-chloropropyl)(2-methacryloyloxyethyl)dimethylammonium nitrateDTXSID40886840(2-Hydroxy-3-chloropropyl)(methacryloxyethyl)dimethylammonium nitrate1-Propanaminium, 3-chloro-2-hydroxy-N,N-dimethyl-N-(2-((2-methyl-1-oxo-2-propen-1-yl)oxy)ethyl)-, nitrate (1:1)1-Propanaminium, 3-chloro-2-hydroxy-N,N-dimethyl-N-(2-((2-methyl-1-oxo-2-propenyl)oxy)ethyl)-, nitrate1-Propanaminium, 3-chloro-2-hydroxy-N,N-dimethyl-N-[2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl]-, nitrate (1:1)RefChem:77087DTXCID901026159PBTJSEJAYNNNMM-UHFFFAOYSA-NNS00088453
이름 더 보기
(3-chloro-2-hydroxypropyl)dimethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium nitrate
(3-Chloro-2-hydroxypropyl)dimethyl(2-((2-methyl-1-oxoallyl)oxy)ethyl)ammonium nitrate3-Chloro-2-hydroxy-N,N-dimethyl-N-{2-[(2-methylprop-2-enoyl)oxy]ethyl}propan-1-aminium nitrate

데이터베이스 식별자

CAS
67596-04-7
PubChem CID
3034786
DTXSID
DTXSID40886840
EC Number
266-750-8

물성

구조 계산 물성

극성 표면적
109 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
8
무거운 원자 수
20

물리화학적 성질

EPA
(2-Hydroxy-3-chloropropyl)(2-methacryloyloxyethyl)dimethylammonium nitrate (67596-04-7)

안전 및 규제

유해성 정보

Regulatory InformationChemical: 1-Propanaminium, 3-chloro-2-hydroxy-N,N-dimethyl-N-[2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl]-, nitrate
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

안전 데이터

tsca
TSCA listed
기존화학 물질
KE-20432

화학 및 산업

용도 및 제조

General Manufacturing Information1-Propanaminium, 3-chloro-2-hydroxy-N,N-dimethyl-N-[2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl]-, nitrate (1:1): INACTIVE

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