TERT-부틸4-(4-IODOPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE

Tert-butyl 4-(4-iodophenyl)piperazine-1-carboxylate

HCID 2795511

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 151978-66-4
표준 SMILES: CC(C)(C)OC(=O)N1CCN(c2ccc(I)cc2)CC1
InChIKey: ZOWJTZMYSLZILG-UHFFFAOYSA-N
분자식: C15H21IN2O2
평균 분자량: 388.24 g/mol
단동위원소 질량: 388.06478

이름 및 식별자

우선 이름: Tert-butyl 4-(4-iodophenyl)piperazine-1-carboxylate
IUPAC: tert-butyl 4-(4-iodophenyl)piperazine-1-carboxylate
현지명: TERT-부틸4-(4-IODOPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
영어명: tert-Butyl 4-(4-iodophenyl)tetrahydro-1(2H)-pyrazinecarboxylate
분자식: C15H21IN2O2
분자량: 388.24

이름 및 동의어

151978-66-4tert-butyl 4-(4-iodophenyl)piperazine-1-carboxylateDTXSID70383731RefChem:383510DTXCID40334755882-818-51-BOC-4-(4-IODOPHENYL)PIPERAZINETERT-BUTYL 4-(4-IODOPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATEMFCD062008641-Piperazinecarboxylicacid, 4-(4-iodophenyl)-, 1,1-dimethylethyl esterC15H21IN2O24-(4-IODO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

이름 더 보기

TERT-부틸4-(4-IODOPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE4-(4-Iodophenyl)piperazine, N1-BOC protected4-(4-Iodophenyl)piperazine,N1-BOCprotected97%1-TERT-BUTOXYCARBONYL-4(4-IODOPHENYL)PIPERAZINE4-(4-Iodophenyl)piperazine, N1-BOC protected 97%1-tert-Butoxycarbonyl-4-(4-iodophenyl)piperazine 97%4-(4-iodophenyl)-2-piperazinecarboxylic acid tert-butyl ester

tert-Butyl 4-(4-iodophenyl)-piperazine-1-carboxylate4-(4-Iodophenyl)piperazine-1-carboxylic acid tert-butyl esterCS-02060551-Piperazinecarboxylic acid, 4-(4-iodophenyl)-, 1,1-dimethylethyl esterSCHEMBL942257ZOWJTZMYSLZILG-UHFFFAOYSA-N4-(4-iodophenyl)-piperazine-1-carboxylic acid tert-butyl esterAKOS015912309

데이터베이스 식별자

CAS: 151978-66-4
PubChem CID: 2795511
DTXSID: DTXSID70383731
EC Number: 882-818-5

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 32.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 20
형식 전하: 0
복잡도: 327

물리화학적 성질

녹는점: 150 °C · 150 °C
끓는 점: 439.5 · 439.5±40.0 °C(Predicted)
밀도: 1.481 · 1.481±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 2.93 · 2.93±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.