O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)uronium Hexafluorophosphate

HCID 13685355CAS 105379-24-6

기본 정보

표준 SMILES: F[P-](F)(F)(F)(F)F.c1ccc2c(c1)nnn2OC(N1CCCC1)=[N+]1CCCC1
InChIKey: XKTRAGMCMJYRRN-UHFFFAOYSA-N
분자식: C15H20F6N5OP
평균 분자량: 431.32 g/mol
단동위원소 질량: 431.13096621

이름 및 식별자

우선 이름: O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)uronium Hexafluorophosphate
IUPAC: 1-[pyrrolidin-1-ium-1-ylidene(pyrrolidin-1-yl)methoxy]benzotriazole hexafluorophosphate
영어명: (Benzotriazol-1-yloxy)dipyrrolidinocarbenium hexafluorophosphate
분자식: C15H20N5O.F6P
분자량: 431.32

이름 및 동의어

O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)uronium hexafluorophosphateRefChem:855141628-483-9105379-24-6HBPyU(Benzotriazol-1-yloxy)dipyrrolidinocarbenium hexafluorophosphate(1H-Benzo[d][1,2,3]triazol-1-yl)(di(pyrrolidin-1-yl)methylene)oxonium hexafluorophosphate(V)MFCD180837371-[pyrrolidin-1-ium-1-ylidene(pyrrolidin-1-yl)methoxy]benzotriazole;hexafluorophosphateHBPYU, O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)uronium hexafluorophosphateCS-W0116241305334-25-1

이름 더 보기

O-(Benzotriazol-1-yl)-N,N,NHBPyUO-(BenzoO-BENZOTRIAZOL-1-YL-N N N' N'-BIS(TETRA&O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylenebenzotriazolyl-bis(tetramethylene)uronium fluorophosphateO-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)uronium(Benzotriazol-1-yloxy)dipyrrolidinocarbenium hexafluorophosp...HBPyU, (Benzotriazol-1-yloxy)dipyrrolidinocarbenium hexafluorophosphate

1-(((1H-Benzo[d][1,2,3]triazol-1-yl)oxy)(pyrrolidin-1-yl)methylene)pyrrolidin-1-iumhexafluorophosphate(V)C15H20F6N5OPA801219SCHEMBL19898986SCHEMBL29358096DTXSID90546720AKOS004900875AKOS024370899

데이터베이스 식별자

CAS: 105379-24-6
PubChem CID: 13685355
DTXSID: DTXSID90546720
EC Number: 628-483-9

물성

구조 계산 물성

극성 표면적: 46.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 10
회전 가능 결합 수: 3
무거운 원자 수: 28
형식 전하: 0
복잡도: 441

물리화학적 성질

녹는점: 176 °C · 176 °C (dec.)(lit.)
저장 조건: 2 · 2-8°C
용해도: 0.1 g/mL, · 아세토니트릴: 0.1 g/mL, 투명
물리적 상태: 가루
색상: 흰색에서 황백색까지
주요 응용: 펩타이드 합성
InChI: InChI=1S/C15H20N5O.F6P/c21-20-14-8-2-1-7-13(14)19(16-20)15(17-9-3-4-10-17)18-11-5-6-12-18;1-7(2,3,4,5)6/h1-2,7-8H,3-6,9-12H2;/q+1;-1
InChIKey: XKTRAGMCMJYRRN-UHFFFAOYSA-N
SMILES: [P+5]([F-])([F-])([F-])([F-])([F-])[F-].C(/N1CCCC1)(\N1CCCC1)=[N+]1\N=N(=O)C2C=CC=CC\1=2

화학적 성질

White crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.