2-(2-Methyl-5-nitroanilino)-4-(3-pyridyl)pyrimidine

HCID 10686149

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 152460-09-8
표준 SMILES: Cc1ccc([N+](=O)[O-])cc1Nc1nccc(-c2cccnc2)n1
InChIKey: OJITWRFPRCHSMX-UHFFFAOYSA-N
분자식: C16H13N5O2
평균 분자량: 307.31 g/mol
단동위원소 질량: 307.10692466

이름 및 식별자

우선 이름: 2-(2-Methyl-5-nitroanilino)-4-(3-pyridyl)pyrimidine
IUPAC: N-(2-methyl-5-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine
영어명: N-(2-Methyl-5-nitrophenyl)-4-(pyridin-3-yl)pyrimidin-2-amine
분자식: C16H13N5O2
분자량: 307.31

이름 및 동의어

2-(2-Methyl-5-nitroanilino)-4-(3-pyridyl)pyrimidineRefChem:454178604-858-2152460-09-8N-(2-methyl-5-nitrophenyl)-4-(pyridin-3-yl)pyrimidin-2-amineN-(2-Methyl-5-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amineN-(2-Methyl-5-nitrophenyl)-4-(3-pyridyl)-2-pyrimidine-amineImatinib Impurity 14MFCD021792692-Pyrimidinamine, N-(2-methyl-5-nitrophenyl)-4-(3-pyridinyl)-CHEMBL204262-Methyl-5-nitro-N-[4-(pyridin-3-yl)pyrimidin-2-yl]benzenamine

이름 더 보기

Ima baseNitro imatinibImatinib-int DImatinib impurities16IMatinib Related CoMpoundImatinib 5-nitro genotoxic impurity(2-Methyl-5-nitroanilino)-4-(3-pyridyl)pyrimidineN-(2-Methyl-5-nitrophenyl)-4-(pyridin-3-yl)pyriMidN-(2-methyl-5-nitrophenyl)-4-(3-pyridyl) -2-pyrimidine

N-(2-methyl-5-nitrophenyl)-4-(3-pyridyl)-2-pyrimidinaminen-(2-methyl-5-nitrophenyl)-4-(3-pyridyl)-2-pyrimidineamineOJITWRFPRCHSMX-UHFFFAOYSA-NSCHEMBL155048PDW22YGSSCHEMBL13597737SCHEMBL29364396DTXSID50443544

데이터베이스 식별자

CAS: 152460-09-8
PubChem CID: 10686149
DTXSID: DTXSID50443544
ChEMBL: CHEMBL20426
UNII: 48PDW22YGS
EC Number: 604-858-2
Nikkaji: J764.283K

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 96.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 3
무거운 원자 수: 23
형식 전하: 0
복잡도: 402

물리화학적 성질

녹는점: 188 · 188-193°C
끓는 점: 546.6 · 546.6±60.0 °C(Predicted)
밀도: 1.344 · 1.344±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 2.68 · 2.68±0.12(Predicted)
색상: 노란색

화학적 성질

Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2933399990

화학 및 산업

응용 분야

용도N-(2-Methyl-5-nitrophenyl)-4-(3-pyridyl)-2-pyrimidine-amine (cas# 152460-09-8) is a compound useful in organic synthesis.

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

Shanghai Yingrui Biopharma Co.,Ltd21-33585366 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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