1-피페리딘카르복실산,4-[(2-aMino-3-pyridinyl)aMino]-,1,1-diMethylethylester

tert-Butyl 4-[(2-aminopyridin-3-yl)amino]piperidine-1-carboxylate

HCID 22293217CAS 781649-86-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N1CCC(Nc2cccnc2N)CC1
InChIKey: NRYFFLQIEZSPBO-UHFFFAOYSA-N
분자식: C15H24N4O2
평균 분자량: 292.38 g/mol
단동위원소 질량: 292.18992601

이름 및 식별자

우선 이름: tert-Butyl 4-[(2-aminopyridin-3-yl)amino]piperidine-1-carboxylate
IUPAC: tert-butyl 4-[(2-amino-3-pyridinyl)amino]piperidine-1-carboxylate
현지명: 1-피페리딘카르복실산,4-[(2-aMino-3-pyridinyl)aMino]-,1,1-diMethylethylester
영어명: 1-Piperidinecarboxylic acid, 4-[(2-aMino-3-pyridinyl)aMino]-, 1,1-diMethylethyl ester
분자식: C15H24N4O2
분자량: 292.38

이름 및 동의어

781649-86-3tert-Butyl 4-((2-aminopyridin-3-yl)amino)piperidine-1-carboxylatetert-butyl 4-[(2-aminopyridin-3-yl)amino]piperidine-1-carboxylateDTXSID00624482RefChem:893908DTXCID70575235616-592-4MFCD131847801-Piperidinecarboxylic acid, 4-[(2-aMino-3-pyridinyl)aMino]-, 1,1-diMethylethyl estertert-butyl 4-(2-aminopyridin-3-ylamino)piperidine-1-carboxylate2-Amino-3-[(1-t-butoxycarbonylpiperidin-4-yl)amino)pyridine2-amino-3-[(1-t-butoxycarbonylpiperidin-4-yl)amino]pyridine

이름 더 보기

1-피페리딘카르복실산,4-[(2-aMino-3-pyridinyl)aMino]-,1,1-diMethylethylesterRimegepant Impurity 112-Pyridinecarboxamide, N-(1,3-diphenyl-1H-pyrazol-5-yl)-2-Amino-3-[[1-(tert-butoxycarbonyl)piperidin-4-yl]amino]pyridine1-(1-((((5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)oxy)carbonyl)piperidin-4-yl)-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridine 1-oxide

2-Amino-3-[(1-tert-butoxycarbonylpiperidin-4-yl)amino)pyridine2-amino-3-[(1-tert-butoxycarbonylpiperidin-4-yl)amino]pyridineRimegepant Impurity 35743JAQ2WE9SCHEMBL1198309SCHEMBL30006703NRYFFLQIEZSPBO-UHFFFAOYSA-NALBB-034365

데이터베이스 식별자

CAS: 781649-86-3
PubChem CID: 22293217
DTXSID: DTXSID00624482
UNII: 743JAQ2WE9
EC Number: 616-592-4

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 80.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 21
형식 전하: 0
복잡도: 348

물리화학적 성질

끓는 점: 454.2 · 454.2±45.0 °C(Predicted)
밀도: 1.192 · 1.192±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 6.69 · 6.69±0.36(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (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 CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 2933399990

화학 및 산업

공급사34 곳

上海美律医药科技有限公司+86-53530655; +8613916485955 · [email protected]

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]

연결된 노트

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