tert-Butyl 4-(6-aminopyridin-3-yl)piperidine-1-carboxylate

HCID 49839963

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1198408-35-3
표준 SMILES: CC(C)(C)OC(=O)N1CCC(c2ccc(N)nc2)CC1
InChIKey: UGJYTOMOCDGLRS-UHFFFAOYSA-N
분자식: C15H23N3O2
평균 분자량: 277.36 g/mol
단동위원소 질량: 277.17902698

이름 및 식별자

우선 이름: tert-Butyl 4-(6-aminopyridin-3-yl)piperidine-1-carboxylate
IUPAC: tert-butyl 4-(6-amino-3-pyridinyl)piperidine-1-carboxylate
영어명: tert-butyl 4-(6-aMinopyridin-3-yl)piperidine-1-carboxylate
분자식: C15H23N3O2
분자량: 277.36

이름 및 동의어

tert-butyl 4-(6-aminopyridin-3-yl)piperidine-1-carboxylate1198408-35-3DTXSID80678625RefChem:1099550DTXCID80629374127-372-84-(6-Amino-3-pyridyl)-1-Boc-piperidineMFCD111112661-Piperidinecarboxylic acid, 4-(6-amino-3-pyridinyl)-, 1,1-dimethylethyl esterSY0587926-amino-3',4',5',6'-tetrahydro-2'H-[3,4']bipyridinyl-1'-carboxylic acid tert-butyl ester6-Amino-3',4',5',6'-tetrahydro-2'H-[3,4]bipyridinyl-1'-carboxylic acid tert-butyl ester

이름 더 보기

tert-Butyl 4-(6-aminopyridin-3-yl)4-(6-aminopyridin-3-yl)piperidine-1-carboxylateert-butyl4-(6-aminopyridin-3-yl)piperidine-1-carboxylatetert-butyl 4-(6-aMinopyridin-3-yl)piperidine-1-carboxylate ISO 9001：2015 REACH6-amino-3',4',5',6'-tetrahydro-2'H-[3,4']bipyridinyl-1'-carboxylicacidtert-butylester

UGJYTOMOCDGLRS-UHFFFAOYSA-NSCHEMBL611718SCHEMBL29497122AKOS015899621DS-6705SB41072DA-16818CS-0112822

데이터베이스 식별자

CAS: 1198408-35-3
PubChem CID: 49839963
DTXSID: DTXSID80678625
EC Number: 127-372-8

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 68.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 20
형식 전하: 0
복잡도: 333

물리화학적 성질

끓는 점: 422.8 · 422.8±45.0 °C(Predicted)
밀도: 1.134 · 1.134±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 6.8 · 6.80±0.26(Predicted)
InChI: InChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)18-8-6-11(7-9-18)12-4-5-13(16)17-10-12/h4-5,10-11H,6-9H2,1-3H3,(H2,16,17)
InChIKey: UGJYTOMOCDGLRS-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(C2=CC=C(N)N=C2)CC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, 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)

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