1-BOC-4-(4-포밀페닐)피페라진

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

HCID 2795509

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 197638-83-8
표준 SMILES: CC(C)(C)OC(=O)N1CCN(c2ccc(C=O)cc2)CC1
InChIKey: KHORERZDMJTBMR-UHFFFAOYSA-N
분자식: C16H22N2O3
평균 분자량: 290.36 g/mol
단동위원소 질량: 290.16304256

이름 및 식별자

우선 이름: Tert-butyl 4-(4-formylphenyl)piperazine-1-carboxylate
IUPAC: tert-butyl 4-(4-formylphenyl)piperazine-1-carboxylate
현지명: 1-BOC-4-(4-포밀페닐)피페라진
영어명: 1-Boc-4-(4-formylphenyl)piperazine
분자식: C16H22N2O3
분자량: 290.36

이름 및 동의어

tert-butyl 4-(4-formylphenyl)piperazine-1-carboxylateRefChem:893739628-009-01-Boc-4-(4-formylphenyl)piperazine197638-83-8MFCD058646631-Piperazinecarboxylic acid, 4-(4-formylphenyl)-, 1,1-dimethylethyl ester4-(4-formylphenyl)piperazine-1-carboxylic acid tert-butyl esterCS-W008993EN300-66956tert-butyl 4-(4-formylphenyl)piperazinecarboxylateF1905-7230

이름 더 보기

1-BOC-4-(4-포밀페닐)피페라진BUTTPARK 98\06-981-boc-4-(4-formylphenyl)piperazine,97%4-Piperazin-1-ylbenzaldehyde, N4-BOC protected4-(4-TERT-BUTOXYCARBONYL)PIPERAZINEBENZALDEHYDETERT-BUTYL 4-(4'-FORMYLPHENYL)PIPERAZINE-1-CARBOXYLATE1-BOC-4-(4-FORMYLPHENYL)PIPERAZINE ISO 9001：2015 REACH1,1-Dimethylethyl 4-(4-formylphenyl)-1-piperazinecarboxylate

FT-0643842TERT-BUTYL 4-(4-FORMYLPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATESCHEMBL209802DTXSID003837294-(4-(1,1-DimethylethoxycarbonySBB066887AKOS0052139354-(N-Boc-piperazin-1-yl)benzaldehyde

데이터베이스 식별자

CAS: 197638-83-8
PubChem CID: 2795509
DTXSID: DTXSID00383729
EC Number: 628-009-0

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 49.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 21
형식 전하: 0
복잡도: 362

물리화학적 성질

녹는점: 118 · 118-121 °C (lit.)
끓는 점: 441.4 · 441.4±40.0 °C(Predicted)
밀도: 1.154 · 1.154±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: solid
산도 계수 (pKa): 2.45 · 2.45±0.10(Predicted)
InChI: InChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)18-10-8-17(9-11-18)14-6-4-13(12-19)5-7-14/h4-7,12H,8-11H2,1-3H3
InChIKey: KHORERZDMJTBMR-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCN(C2=CC=C(C=O)C=C2)CC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 2811 6.1/PG 3
HS 번호: 2933599590
risk_code: 25-43
hazard_code: T
safety_code: 36/37-45
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 3 OralSkin Sens. 1
스토리지 클래스: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects