CAS 66521-66-2 4-(Pyridin-3-yl)pyrimidin-2-amine (HCID 12450582)

이름 및 식별자

우선 이름: 4-(Pyridin-3-yl)pyrimidin-2-amine
IUPAC: 4-pyridin-3-ylpyrimidin-2-amine
영어명: 4-(Pyridin-3-yl)pyrimidin-2-amine
분자식: C9H8N4
분자량: 172.19

이름 및 동의어

66521-66-24-(pyridin-3-yl)pyrimidin-2-amineDTXSID00498802RefChem:289415DTXCID00449612835-883-94-(3-Pyridinyl)-2-aminopyrimidine4-(3-Pyridinyl)-2-pyrimidine amine4-(3-Pyridinyl)-2-pyrimidinamine2-Amino-4-(3-pyridinyl)-pyrimidine4-Pyridin-3-ylpyrimidin-2-amine2-AMINO-4-(3-PYRIDYL)PYRIMIDINE

이름 더 보기

BUTTPARK 41\09-83)-2-pyrimidine amine4-(3-Pyridyl)-2-pyrimidinamineNilotinib 3-Pyridinyl Impurity4-(3-Pyridyl)-2-pyrimidineamine2-PyriMidinaMine,4-(3-pyridinyl)-

MFCD013178322-amino-4-pyridyl-pyrimidine2-PYRIMIDINAMINE, 4-(3-PYRIDINYL)-4-(pyridin-3-yl)pyrimidin-2-ylamine4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINECHEMBL12367982xdk4-(3-pyridyl)pyrimidin-2-amine

데이터베이스 식별자

CAS: 66521-66-2
PubChem CID: 12450582
DTXSID: DTXSID00498802
ChEMBL: CHEMBL1236798
EC Number: 835-883-9
Nikkaji: J2.809.846D

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 64.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 162

물리화학적 성질

녹는점: 189 · 189-191 °C
끓는 점: 439.9 · 439.9±37.0 °C(Predicted)
밀도: 1.259 · 1.259±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 2.76 · 2.76±0.10(Predicted)
색상: 황백색에서 연한 노란색
InChI: InChI=1S/C9H8N4/c10-9-12-5-3-8(13-9)7-2-1-4-11-6-7/h1-6H,(H2,10,12,13)
InChIKey: LQHQKYWYKPLKCH-UHFFFAOYSA-N
SMILES: C1(N)=NC=CC(C2=CC=CN=C2)=N1

화학적 성질

White to off-white or brown solid.

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (33.3%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)；STOT SE 3 (33.3%)

안전 데이터

wgk: WGK 3
HS 번호: 29339900
risk_code: 25-20/21/22
hazard_code: T
safety_code: 45-36/37
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야

용도4-(3-Pyridinyl)-2-pyrimidinamine serves as an intermediate compound during the synthesis of Nilotinib. Nilotinib is a selective tyrosine kinase receptor inhibitor used in the therapy of chronic myelogenous leukemia.

상·하류 제품 정보

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

화합물 노트

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4-(Pyridin-3-yl)pyrimidin-2-amine

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