Tert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate

HCID 735736

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 77279-24-4
표준 SMILES: CC(C)(C)OC(=O)N1CCN(CCO)CC1
InChIKey: VRXIOAYUQIITBU-UHFFFAOYSA-N
분자식: C11H22N2O3
평균 분자량: 230.3 g/mol
단동위원소 질량: 230.16304256

이름 및 식별자

우선 이름: Tert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
IUPAC: tert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
영어명: tert-Butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
분자식: C11H22N2O3
분자량: 230.3

이름 및 동의어

77279-24-4Tert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylateDTXSID20352816RefChem:383472DTXCID40303880627-816-51-Boc-4-(2-hydroxyethyl)piperazineMFCD00728947867359-85-1tert-butyl 4-(2-hydroxyethyl)tetrahydro-1(2h)-pyrazinecarboxylate1-Piperazinecarboxylic acid, 4-(2-hydroxyethyl)-, 1,1-dimethylethyl ester1,1-Dimethylethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate

이름 더 보기

BUTTPARK 46\04-31Boc-Piperazine-OHBOC-N-(2-HYDROXYETHYL)PIPERAZINE1-Boc-4-(2-hydroxyethyl)-piperaziN-Boc-N’-(2-hydroxyethyl)-piperazine1-Boc-4-(2-hydroxyethyl)piperazine 97%N-BOC-Nzzhlxy-(2-hydroxyethyl)piperazinetert-Butyl 4-(2-hydroxyethyl)piperazine-1-4-(2-HYDROXYETHYL)PIPERAZINE-1-CARBOXYLATE

tert-butyl 4-(2-hydroxyethyl)piperazinecarboxylate1-Boc-4-(2-hydroxyethyl)-piperazineSCHEMBL39756N-Boc-4-hydroxyethylpiperazinetert-butyl 4-(2-hydroxyethyl)-1-piperazinecarboxylateSCHEMBL15474971VRXIOAYUQIITBU-UHFFFAOYSA-N4-(2-hydroxyethyl)piperazine-1-carboxylic acid tert-butyl ester

데이터베이스 식별자

CAS: 77279-24-4
PubChem CID: 735736
DTXSID: DTXSID20352816
EC Number: 627-816-5
Nikkaji: J1.180.089K

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 53 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 230

물리화학적 성질

녹는점: 38 · 38-42 °C
끓는 점: 114 °C · 114°C 0,1mm
밀도: 1.092 · 1.092±0.06 g/cm3(Predicted)
인화점: 110 °C · 110 °C
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 14.96 · 14.96±0.10(Predicted)
물리적 상태: 고체
색상: 흰색에서 옅은 갈색까지
InChI: InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-6-4-12(5-7-13)8-9-14/h14H,4-9H2,1-3H3
InChIKey: VRXIOAYUQIITBU-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCN(CCO)CC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (91.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (91.1%)

안전 데이터

wgk: 3
ridadr: UN 2811 6.1/PG 3
HS 번호: 2933599590
risk_code: 36/37/38-50-25
hazard_code: C,N,T
safety_code: 26-36/37/39-61-45
포장분류: Ⅲ
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 3 OralAquatic Acute 1
스토리지 클래스: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects