염화트리부틸벤질암모늄

Benzyltributylammonium chloride

HCID 159952

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 23616-79-7
표준 SMILES: CCCC[N+](CCCC)(CCCC)Cc1ccccc1.[Cl-]
InChIKey: VJGNLOIQCWLBJR-UHFFFAOYSA-M
분자식: C19H34N.Cl
평균 분자량: 311.9 g/mol
단동위원소 질량: 311.23797777

이름 및 식별자

우선 이름: Benzyltributylammonium chloride
IUPAC: benzyl(tributyl)azanium chloride
현지명: 염화트리부틸벤질암모늄
영어명: Benzyltributylammonium chloride
분자식: C19H34ClN
분자량: 311.93

이름 및 동의어

Benzyltributylammonium chloride23616-79-7Benzenemethanaminium, N,N,N-tributyl-, chloride (1:1)RefChem:119008245-787-3N-Benzyl-N,N-dibutylbutan-1-aminium chlorideBenzyltri-n-butylammonium chlorideTRIBUTYLBENZYLAMMONIUM CHLORIDEbenzyl(tributyl)azanium;chlorideBenzenemethanaminium, N,N,N-tributyl-, chlorideBenzyl tributyl ammonium chlorideC19H34ClN

이름 더 보기

벤질트리부틸암모늄클로라이드염화트리부틸벤질암모늄BTBACAC1Q1RWQ[BzB3N]Cltributyl-(pBenzyltributylBenzyl tributyl ammMOLPORT-001-768-896VJGNLOIQCWLBJR-UHFFFAOYSA-MBenzyltributylazanium chloride

Tiamulin EP Impurity R[C1MIm]SbF6MFCD00011849benzyl tributylammonium chloridebenzyl-tributylammonium chlorideN-Benzyl-N,N-dibutylbutan-1-aminiumchloridebenzyltributyl ammonium chloridebenzyl(tributyl)azanium,chloride

데이터베이스 식별자

CAS: 23616-79-7
PubChem CID: 159952
DTXSID: DTXSID00885238
EC Number: 245-787-3

물성

구조 계산 물성

극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 11
무거운 원자 수: 21
형식 전하: 0
복잡도: 196

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Quaternary Amines

Physical DescriptionWhite hygroscopic crystalline powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 155 · 155-163 °C (lit.)
끓는 점: 466.93 °C · 466.93°C (rough estimate)
밀도: 0.9523 · 0.9523 (rough estimate)
굴절률: 1.6 · 1.6000 (estimate)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 결정성 분말
색상: 흰색에서 아이보리까지
수용성: 녹는
BRN: 3776210 · 3776210
안정성: 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
InChI: InChI=1S/C19H34N.ClH/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;/h10-14H,4-9,15-18H2,1-3H3;1H/q+1;/p-1
InChIKey: VJGNLOIQCWLBJR-UHFFFAOYSA-M
SMILES: [N+](CCCC)(CCCC)(CCCC)CC1=CC=CC=C1.[Cl-]
EPA: Benzenemethanaminium, N,N,N-tributyl-, chloride (23616-79-7)

화학적 성질

white to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (98.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 64 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Benzenemethanaminium, N,N,N-tributyl-, chloride

Benzyltributylammonium chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant that may cause serious eye injury; Harmful by ingestion; [Alfa Aesar MSDS] See Benzylethyldimethylammonium chloride and Benzyltrimethylammonium chloride.

Hazard Classes and CategoriesAcute Tox. 4 (98.4%)