1-Piperazinecarboxylic acid, ethyl ester

HCID 8431CAS 120-43-4

기본 정보

표준 SMILES: CCOC(=O)N1CCNCC1
InChIKey: LNOQURRKNJKKBU-UHFFFAOYSA-N
분자식: C7H14N2O2
평균 분자량: 158.2 g/mol
단동위원소 질량: 158.10552769

이름 및 식별자

우선 이름: 1-Piperazinecarboxylic acid, ethyl ester
IUPAC: ethyl piperazine-1-carboxylate
영어명: Ethyl N-piperazinecarboxylate
분자식: C7H14N2O2
분자량: 158.2

이름 및 동의어

120-43-4Ethyl N-piperazinecarboxylateEthyl 1-piperazinecarboxylate1-PIPERAZINECARBOXYLIC ACID, ETHYL ESTERN-(Ethoxycarbonyl)piperazinePiperazine ethylcarboxylateBRN 0125780EINECS 204-395-2Ethyl N-piperazinocarboxylaten-carboethoxypiperazinePiperazine-N-carboxylic acid ethyl esterDTXSID7059511

이름 더 보기

AKOS BC-0597RARECHEM AH CK 0098TIMTEC-BB SBB003993LABOTEST-BB LT00138086ethylcarbonylpiperazineEthylcarbonyl piperazine

5-23-01-00055 (Beilstein Handbook Reference)RefChem:77021DTXCID1033535LNOQURRKNJKKBU-UHFFFAOYSA-NEthyl piperazine-1-carboxylateN-Carbethoxypiperazine1-Carbethoxypiperazine1-Carboethoxypiperazine

데이터베이스 식별자

CAS: 120-43-4
PubChem CID: 8431
DTXSID: DTXSID7059511
ChEMBL: CHEMBL213851
UNII: 29325GHS9J
EC Number: 204-395-2
Nikkaji: J19A

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 41.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 132

실험 및 물리화학적 성질

Dissociation Constants8.2

물리화학적 성질

녹는점: 120 °C · 120 °C
끓는 점: 273 °C · 273 °C (lit.)
밀도: 1.08 g/mL · 1.08 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.477(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 기름진 액체
산도 계수 (pKa): 8.5 · 8.50±0.10(Predicted)
색상: 맑은 연한 노란색
수용성: 녹는
BRN: 125780 · 125780
InChI: 1S/C7H14N2O2/c1-2-11-7(10)9-5-3-8-4-6-9/h8H,2-6H2,1H3
InChIKey: LNOQURRKNJKKBU-UHFFFAOYSA-N
SMILES: CCOC(=O)N1CCNCC1
NIST: 1 · 1-Piperazinecarboxylic acid, ethyl ester(120-43-4)
EPA: 1 · 1-Piperazinecarboxylic acid, ethyl ester (120-43-4)

화학적 성질

clear light yellow oily liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (86.5%): 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)

Aggregated GHS information provided per 52 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 22-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26347

Piperazine ethylcarboxylate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (86.5%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: TL1378000
ridadr: UN 2810 6.1/PG 3
HS 번호: 29335995
risk_code: 22-36/37/38-20/21/22
hazard_code: Xn,T
safety_code: 23-24/25-37/39-26-36
포장분류: III
위험 등급: 6.1(b)
위험 참고 사항: Toxic
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing Information1-Piperazinecarboxylic acid, ethyl ester: ACTIVE

응용 분야

용도Intermediate.

공급사50 곳

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