tert-부틸4-(5-요오도피리드-2-일)피페라진-1-카르복실레이트

tert-Butyl 4-(5-iodopyridin-2-yl)piperazine-1-carboxylate

HCID 7164639

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 497915-42-1
표준 SMILES: CC(C)(C)OC(=O)N1CCN(c2ccc(I)cn2)CC1
InChIKey: RJHWOWJRQNENIC-UHFFFAOYSA-N
분자식: C14H20IN3O2
평균 분자량: 389.23 g/mol
단동위원소 질량: 389.06002488

이름 및 식별자

우선 이름: tert-Butyl 4-(5-iodopyridin-2-yl)piperazine-1-carboxylate
IUPAC: tert-butyl 4-(5-iodo-2-pyridinyl)piperazine-1-carboxylate
현지명: tert-부틸4-(5-요오도피리드-2-일)피페라진-1-카르복실레이트
영어명: tert-Butyl 4-(5-iodopyrid-2-yl)piperazine-1-carboxylate
분자식: C14H20IN3O2
분자량: 389.23

이름 및 동의어

497915-42-1Tert-butyl 4-(5-iodopyridin-2-yl)piperazine-1-carboxylateDTXSID70428212RefChem:383522DTXCID003790461-Boc-4-(5-iodopyridin-2-yl)piperazine1-Boc-4-(5-Iodo-2-Pyridyl)Piperazinetert-Butyl 4-(5-iodopyrid-2-yl)piperazine-1-carboxylateMFCD07781193SCHEMBL1432329SCHEMBL29751127RJHWOWJRQNENIC-UHFFFAOYSA-N

이름 더 보기

tert-부틸4-(5-요오도피리드-2-일)피페라진-1-카르복실레이트4-(5-IODOPYRID-2-YL)PIPERAZINE, 1-BOC PROTECTED4-(5-Iodopyridin-2-yl)piperazine,N1-BOCprotected97%4-(5-Iodopyridin-2-yl)piperazine, N1-BOC protected 97%4-(5-iodo-2-pyridinyl)-1-piperazinecarboxylic acid tert-butyl ester4-(5-Iodo-pyridin-2-yl)-piperazine-1-carboxylic acid tert-butyl ester1-Piperazinecarboxylic acid, 4-(5-iodo-2-pyridinyl)-, 1,1-dimethylethyl ester

4-(5-Iodopyridin-2-yl)piperazine-1-carboxylic acid tert-butyl esterAKOS015911300AS-40636DB-030338CS-01347111-Boc-4-(5-iodo-2-pyridyl)piperazine, AldrichCPR4-(5-Iodopyridin-2-yl)piperazine, N1-BOC protectedtert-butyl 4-(5-iodo-2-pyridyl)piperazine-1-carboxylate

데이터베이스 식별자

CAS: 497915-42-1
PubChem CID: 7164639
DTXSID: DTXSID70428212
EC Number: 676-454-4

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 45.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 20
형식 전하: 0
복잡도: 338

물리화학적 성질

녹는점: 102 °C · 102 °C
끓는 점: 457.5 · 457.5±45.0 °C(Predicted)
밀도: 1.524 · 1.524±0.06 g/cm3(Predicted)
산도 계수 (pKa): 6.4 · 6.40±0.29(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

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

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.