1-(3-HYDROXY-페닐)-피페라진-4-카르복실산TERT-부틸에스테르

tert-Butyl 4-(3-hydroxyphenyl)piperazine-1-carboxylate

HCID 18669061

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 198627-86-0
표준 SMILES: CC(C)(C)OC(=O)N1CCN(c2cccc(O)c2)CC1
InChIKey: MIQHJGPQPMQVOT-UHFFFAOYSA-N
분자식: C15H22N2O3
평균 분자량: 278.35 g/mol
단동위원소 질량: 278.16304256

이름 및 식별자

우선 이름: tert-Butyl 4-(3-hydroxyphenyl)piperazine-1-carboxylate
IUPAC: tert-butyl 4-(3-hydroxyphenyl)piperazine-1-carboxylate
현지명: 1-(3-HYDROXY-페닐)-피페라진-4-카르복실산TERT-부틸에스테르
영어명: 1-(3-HYDROXY-PHENYL)-PIPERAZINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER
분자식: C15H22N2O3
분자량: 278.35

이름 및 동의어

198627-86-0tert-butyl 4-(3-hydroxyphenyl)piperazine-1-carboxylateDTXSID60595422RefChem:383491DTXCID50546185840-041-91-Boc-4-(3-hydroxyphenyl)piperazine1-(3-HYDROXY-PHENYL)-PIPERAZINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER1-BOC-4-(3-HYDROXY-PHENYL)-PIPERAZINEMFCD041150611-PIPERAZINECARBOXYLIC ACID, 4-(3-HYDROXYPHENYL)-, 1,1-DIMETHYLETHYL ESTER4-(3-Hydroxy-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

이름 더 보기

1-(3-HYDROXY-페닐)-피페라진-4-카르복실산TERT-부틸에스테르1-(3-Hydroxy-phenyl)-piperazine-4-carboxylic acid tert-butyl ester - [H93064]

SCHEMBL1958401MIQHJGPQPMQVOT-UHFFFAOYSA-N4-(3-hydroxyphenyl)-1-piperazinecarboxylic acid tert-butyl esterAB87241-Piperazinecarboxylic acid, 4-(3-hydroxyphenyl)-, 1,1-dimethylethylesterAKOS024258350AB19542AS-44910

데이터베이스 식별자

CAS: 198627-86-0
PubChem CID: 18669061
DTXSID: DTXSID60595422
EC Number: 840-041-9
Nikkaji: J2.896.485D

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 53 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: 435.8 · 435.8±40.0 °C(Predicted)
밀도: 1.167 · 1.167±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 10.33 · 10.33±0.10(Predicted)

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.