2-(2H-Benzotriazol-2-yl)-4-methyl-6-(2-propenyl)phenol

HCID 735573CAS 2170-39-0

기본 정보

표준 SMILES: C=CCc1cc(C)cc(-n2nc3ccccc3n2)c1O
InChIKey: YKONWVIRECCMQE-UHFFFAOYSA-N
분자식: C16H15N3O
평균 분자량: 265.31 g/mol
단동위원소 질량: 265.12151211

이름 및 식별자

우선 이름: 2-(2H-Benzotriazol-2-yl)-4-methyl-6-(2-propenyl)phenol
IUPAC: 2-(benzotriazol-2-yl)-4-methyl-6-prop-2-enylphenol
영어명: 2-(3-ALLYL-2-HYDROXY-5-METHYLPHENYL)-2H&
분자식: C16H15N3O
분자량: 265.31

이름 및 동의어

2170-39-02-(2H-Benzotriazol-2-yl)-4-methyl-6-(2-propenyl)phenolDTXSID70352806RefChem:251121DTXCID50303871MFCD00236141UV-92-(benzotriazol-2-yl)-4-methyl-6-prop-2-enylphenol2-allyl-6-(2h-benzo[d][1,2,3]triazol-2-yl)-4-methylphenol2-allyl-6-benzotriazol-2-yl-4-methyl-phenol2-(3-ALLYL-2-HYDROXY-5-METHYLPHENYL)-2H&2-(3-ALLYL-2-HYDROXY-5-METHYLPHENYL)-2H&;2-(3-Allyl-2-hydroxy-5-methylphenyl)-benzotriazole;2-(3-Allyl-2-hydroxy-5-methylphenyl)-2H-benzotriazole,2-Allyl-6-(2H-benzotriazol-2-yl)-p-cresol;2-(2H-Benzotriazol-2-yl)-4-methyl-6-(2-propenyl)phenol 99%

이름 더 보기

2-Allyldrometrizole2-Allyl-6-(2H-benzotriazol-2-yl)-4-methylphenol2-(3-Allyl-2-hydroxy-5-methylphenyl)-benzotriazole2-(2H-Benzotriazol-2-yl)-4-methyl-6-(2-propenyl)phenol 99%Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-6-(2-propen-1-yl)-2-(2H-Benzotriazol-2-yl)-4-methyl-6-(2-propenyl)phenol@1000 μg/mL in Acetonitrile

Oprea1_444866SCHEMBL285279SCHEMBL29384819YKONWVIRECCMQE-UHFFFAOYSA-N2-(2H-1,2,3-benzotriazol-2-yl)-4-methyl-6-(prop-2-en-1-yl)phenolSTK834549AKOS001644852CCG-108811

데이터베이스 식별자

CAS: 2170-39-0
PubChem CID: 735573
DTXSID: DTXSID70352806
Nikkaji: J1.634.630F

물성

구조 계산 물성

XLogP: 5.4
극성 표면적: 50.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 20
형식 전하: 0
복잡도: 335

물리화학적 성질

녹는점: 98 · 98-101 °C (lit.)
끓는 점: 450.6 · 450.6±55.0 °C(Predicted)
밀도: 1.3 g/mL · 1.3 g/mL at 25 °C (lit.)
저장 조건: 2 · 2-30°C
용해도: 2 O: · H2O: 불용성
산도 계수 (pKa): 8.45 · 8.45±0.48(Predicted)
물리적 상태: powder to crystal
색상: 흰색에서 밝은 노란색
수용성: 2 O: · H2O: insoluble
InChI: InChI=1S/C16H15N3O/c1-3-6-12-9-11(2)10-15(16(12)20)19-17-13-7-4-5-8-14(13)18-19/h3-5,7-10,20H,1,6H2,2H3
InChIKey: YKONWVIRECCMQE-UHFFFAOYSA-N
SMILES: C1(O)=C(CC=C)C=C(C)C=C1N1N=C2C=CC=CC2=N1