CAS 51656-57-6 2-((2-Nitrophenyl)azo)-4-(1,1,3,3-tetramethylbutyl)phenol (HCID 103927)

기본 정보

CAS: 51656-57-6
표준 SMILES: CC(C)(C)CC(C)(C)c1ccc(O)c(N=Nc2ccccc2[N+](=O)[O-])c1
InChIKey: HOWCUYQDKCPWDV-UHFFFAOYSA-N
분자식: C20H25N3O3
평균 분자량: 355.4 g/mol
단동위원소 질량: 355.18959166

이름 및 식별자

우선 이름: 2-((2-Nitrophenyl)azo)-4-(1,1,3,3-tetramethylbutyl)phenol
IUPAC: 2-[(2-nitrophenyl)diazenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
현지명: 2-[(2-니트로페닐)아조]-4-(1,1,3,3-테트라메틸부틸)페놀
영어명: 2-[(2-Nitrophenyl)azo]-4-(1,1,3,3-tetramethylbutyl)phenol
분자식: C20H25N3O3
분자량: 355.43

이름 및 동의어

2-[(2-Nitrophenyl)azo]-4-(1,1,3,3-tetramethylbutyl)phenolEINECS 257-338-9Phenol, 2-[(2-nitrophenyl)azo]-4-(1,1,3,3-tetramethylbutyl)-2-((2-Nitrophenyl)azo)-4-(1,1,3,3-tetramethylbutyl)phenolPhenol,2-(o-nitrophenylazo)-4-t-octyl-DTXSID5068657Phenol, 2-((2-nitrophenyl)azo)-4-(1,1,3,3-tetramethylbutyl)-Phenol, 2-(2-(2-nitrophenyl)diazenyl)-4-(1,1,3,3-tetramethylbutyl)-Phenol, 2-[2-(2-nitrophenyl)diazenyl]-4-(1,1,3,3-tetramethylbutyl)-RefChem:447855DTXCID6041050257-338-9

이름 더 보기

2-[(2-니트로페닐)아조]-4-(1,1,3,3-테트라메틸부틸)페놀2-(2-Nitrophenylazo)-4-tert-octylphenol

51656-57-62-[(2-nitrophenyl)diazenyl]-4-(2,4,4-trimethylpentan-2-yl)phenolSCHEMBL6867724SCHEMBL6867726SCHEMBL28966491SCHEMBL296372472-nitro-2'-hydroxy-5'-t-octylazobenzene2'-hydroxy-5'-tert-octyl-2-nitroazobenzene

데이터베이스 식별자

물성

구조 계산 물성

XLogP: 6.6
극성 표면적: 90.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 26
형식 전하: 0
복잡도: 507

물리화학적 성질

끓는 점: 505.7 · 505.7±50.0 °C(Predicted)
밀도: 1.12 · 1.12±0.1 g/cm3(Predicted)
산도 계수 (pKa): 8.47 · 8.47±0.45(Predicted)
EPA: 2 · Phenol, 2-[(2-nitrophenyl)azo]-4-(1,1,3,3-tetramethylbutyl)- (51656-57-6)