기본 정보
- CAS
10328-35-5- 표준 SMILES
CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1- InChIKey
CYDRXTMLKJDRQH-UHFFFAOYSA-N- 분자식
- C21H38N+
- 평균 분자량
- 304.5 g/mol
- 단동위원소 질량
- 304.30042522
개요
Benzododecinium is a quaternary ammonium ion obtained by methylation of N-benzyl-N-methyldodecan-1-amine.
이름 및 식별자
- 우선 이름
- Benzododecinium
- IUPAC
- benzyl-dodecyl-dimethylazanium
- 영어명
- Methanesulfonic acid
- 분자식
- CH4O3S
- 분자량
- 96.10566
이름 및 동의어
BenzododeciniumAjatinBenzyldodecyldimethylammonium10328-35-5Benzododecinium ionDimethyllaurylbenzylammoniumLauryldimethylbenzylammoniumBenzododecinium cationBenzyldimethyldodecylammonium ionN-Dodecyl-N,N-dimethylbenzenemethanaminiumN0BN0O8CSLdimethyldodecylbenzylammonium
이름 더 보기
NSC 9658benzyl-dodecyl-diMethyl-azaniuM(Benzyl)dimethyldodecylammonium methylsulfonate
N-Benzyl-N-dodecyl-N,N-dimethylammoniumCHEBI:135611benzyl dimethyl dodecyl ammoniumBENZYL(DODECYL)DIMETHYLAZANIUMRefChem:54496BZK-C12benzyl-dodecyl-dimethylazaniumn-benzyl-n,n-dimethyldodecan-1-aminium
데이터베이스 식별자
- CAS
10328-35-5、5423-15-4、5459-84-7- PubChem CID
- 8754
- DTXSID
DTXSID60872947- ChEMBL
CHEMBL1907001- ChEBI
CHEBI:135611- UNII
- N0BN0O8CSL
- Nikkaji
- J9.814K
물성
구조 계산 물성
- XLogP
- 7.4
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 22
- 형식 전하
- 1
- 복잡도
- 240
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section
193.0 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID2040787]
193 Ų [M]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
화학 및 산업
약리 정보
ATC Code
D - Dermatologicals
QD - Dermatologicals
MeSH Pharmacological Classification
Substances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects.
Substances used on inanimate objects that destroy harmful microorganisms or inhibit their activity. Disinfectants are classed as complete, destroying SPORES as well as vegetative forms of microorganisms, or incomplete, destroying only vegetative forms of the organisms. They are distinguished from ANTISEPTICS, which are local anti-infective agents used on humans and other animals. (From Hawley's Condensed Chemical Dictionary, 11th ed)
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