1-(에톡시카르보닐메틸)피페라진

Ethyl piperazine-1-acetate

HCID 207112CAS 40004-08-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)CN1CCNCC1
InChIKey: MTFCXMJOGMHYAE-UHFFFAOYSA-N
분자식: C8H16N2O2
평균 분자량: 172.22 g/mol
단동위원소 질량: 172.12117775

개요

Ethyl piperazinoacetate is an alpha-amino acid ester.

이름 및 식별자

우선 이름: Ethyl piperazine-1-acetate
IUPAC: ethyl 2-piperazin-1-ylacetate
현지명: 1-(에톡시카르보닐메틸)피페라진
영어명: 1-(Ethoxycarbonylmethyl)piperazine
분자식: C8H16N2O2
분자량: 172.22

이름 및 동의어

40004-08-81-(Ethoxycarbonylmethyl)piperazineEthyl piperazine-1-acetateEINECS 254-745-3DTXSID30193070RefChem:596381DTXCID40115561254-745-3ethyl 2-(piperazin-1-yl)acetateEthyl 1-piperazineacetateEthyl piperazinoacetateethyl piperazin-1-ylacetate

이름 더 보기

1-(에톡시카르보닐메틸)피페라진AKOS BC-0535AKOS BBS-00006885Ethyl 2-Piperazinoacetateethyl (1-piperazino)acetate

ethyl 2-piperazin-1-ylacetate1-Piperazineacetic acid, ethyl esterethyl 1-piperazinylacetateMFCD00040739ethyl (piperazin-1-yl)acetate2-(Piperazin-1-yl)acetic acid ethyl esterN-(ethoxycarbonylmethyl)piperazine2-(Piperazin-1-yl)-acetic acid ethyl ester

데이터베이스 식별자

CAS: 40004-08-8
PubChem CID: 207112
DTXSID: DTXSID30193070
ChEMBL: CHEMBL1221941
ChEBI: CHEBI:188584
EC Number: 254-745-3
Nikkaji: J261.498G

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 41.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 12
형식 전하: 0
복잡도: 144

물리화학적 성질

끓는 점: 127 °C · 127°C 13mm
밀도: 1.048 g/mL · 1.048 g/mL at 20 °C (lit.)
굴절률: 20 · n20/D 1.472
인화점: 127 °C/13mm · 127°C/13mm
저장 조건: -20 °C · -20°C
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 기름
산도 계수 (pKa): 8.96 · 8.96±0.10(Predicted)
색상: 투명한
수용성: 물, 클로로포름, 메탄올에 용해됩니다.
BRN: 743260 · 743260
주요 응용: 펩타이드 합성
InChI: 1S/C8H16N2O2/c1-2-12-8(11)7-10-5-3-9-4-6-10/h9H,2-7H2,1H3
InChIKey: MTFCXMJOGMHYAE-UHFFFAOYSA-N
SMILES: CCOC(=O)CN1CCNCC1

화학적 성질

1-(ETHOXYCARBONYLMETHYL)PIPERAZINE is Clear Thick Oil

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (88.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (88.6%)

안전 데이터

wgk: 3
HS 번호: 2933599590
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: 8
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도1-(ETHOXYCARBONYLMETHYL)PIPERAZINE is used in the preparation of aralkylpiperazine- and aryl-substituted hydrazines, particularly benzylpiperazineacetyl hydrazones of hydroxyaryl aldehydes, as selecti ve inducers of apoptosis and activators of procaspases for use as anticancer agents.