CAS 769944-78-7 1-N-Boc-4-(4-bromophenyl)piperidine (HCID 27281782)

기본 정보

CAS: 769944-78-7
표준 SMILES: CC(C)(C)OC(=O)N1CCC(c2ccc(Br)cc2)CC1
InChIKey: UEOHLUHRQWYQRT-UHFFFAOYSA-N
분자식: C16H22BrNO2
평균 분자량: 340.25 g/mol
단동위원소 질량: 339.08339104

이름 및 식별자

우선 이름: 1-N-Boc-4-(4-bromophenyl)piperidine
IUPAC: tert-butyl 4-(4-bromophenyl)piperidine-1-carboxylate
현지명: 1-N-BOC-4-(4-브로모페닐)피페리딘
영어명: 1-N-Boc-4-(4-bromophenyl)piperidine
분자식: C16H22BrNO2
분자량: 340.26

이름 및 동의어

1-N-Boc-4-(4-Bromophenyl)piperidineRefChem:434710873-007-7769944-78-7tert-butyl 4-(4-bromophenyl)piperidine-1-carboxylateN-BOC-4-(4-BROMOPHENYL)PIPERIDINEMFCD098787744-(4-Bromo-phenyl)-piperidine-1-carboxylic acid tert-butyl esterAKOS0158370164-(4-bromophenyl)-piperidine-1-carboxylic acid tert-butyl esterSCHEMBL180505orb3176075

이름 더 보기

1-N-BOC-4-(4-브로모페닐)피페리딘1-Boc-4-(4-Bromo-phenyl)-piperidine1-N-Boc-4-(5-Bromophenyl)piperidine4-(N-Boc-piperidin-4-yl)bromobenzene4-(4-bromophenyl)piperidine-1-carboxylatetert-butyl 4-(4-bromophenyl)piperidine-1-carboxylate 98%min1-Piperidinecarboxylic acid, 4-(4-bromophenyl)-, 1,1-dimethylethyl ester

Boc 4 (4-bromophenyl)piperidineDTXSID20650662UEOHLUHRQWYQRT-UHFFFAOYSA-N1-boc-4-(4-bromophenyl)piperidine4-(4-bromophenyl)-1-piperidinecarboxylic acid tert-butyl esterAB53989CS-W003678DS-11165

데이터베이스 식별자

CAS: 769944-78-7
PubChem CID: 27281782
DTXSID: DTXSID20650662
EC Number: 873-007-7
Nikkaji: J3.303.656F

물성

구조 계산 물성

XLogP: 4
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 20
형식 전하: 0
복잡도: 324

물리화학적 성질

녹는점: 41 · 41-42 °C
끓는 점: 398.5 · 398.5±42.0 °C(Predicted)
밀도: 1.283 · 1.283±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -1.75 · -1.75±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.