1-(Cyclopropylmethyl)piperazine

HCID 965875CAS 57184-25-5

기본 정보

표준 SMILES: C1CN(CC2CC2)CCN1
InChIKey: IVLIBVDZIYFXBZ-UHFFFAOYSA-N
분자식: C8H16N2
평균 분자량: 140.23 g/mol
단동위원소 질량: 140.13134851

이름 및 식별자

우선 이름: 1-(Cyclopropylmethyl)piperazine
IUPAC: 1-(cyclopropylmethyl)piperazine
영어명: 1-(CYCLOPROPYLMETHYL)PIPERAZINE
분자식: C8H16N2
분자량: 140.23

이름 및 동의어

1-(Cyclopropylmethyl)piperazine57184-25-5DTXSID80359487RefChem:226440DTXCID10310541627-571-4MFCD00872053PIPERAZINE, 1-(CYCLOPROPYLMETHYL)-4-(cyclopropylmethyl)piperazine1-(Cyclopropylmethyl)-piperazine1-(Cyclopropylmethyl)piperazine, 97%SY310269

이름 더 보기

Cyclopropylmethyl-piperazin-1-N-(Cyclopropylmethyl)piperazine1-(CYCLOPROPYLMETHYL)PIPERAZINE 97[(Piperazin-1-yl)methyl]cyclopropane1-(Cyclopropylmethyl)piperazine - [C13216]1-(cyclopropylmethyl)piperazine(SALTDATA: FREE)1-(CYCLOPROPYLMETHYL)PIPERAZINE 97 ISO 9001：2015 REACH1-(Cyclopropylmethyl)piperazine, 97% colorless to yellow liquid

(cyclopropylmethyl)piperazine4-(Cyclopropylmethyl)piperazine; N-(Cyclopropylmethyl)piperazine1-CyclopropylmethylpiperazineAMY5266BCP11899FT-06907274-(Cyclopropylmethyl)piperan-cyclopropylmethylpiperazine

데이터베이스 식별자

CAS: 57184-25-5
PubChem CID: 965875
DTXSID: DTXSID80359487
UNII: 43CFX85V36
EC Number: 627-571-4
Nikkaji: J526.839G

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 15.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 104

물리화학적 성질

끓는 점: 68 °C/3.5 · 68 °C/3.5 mmHg
밀도: 0.943 g/mL · 0.943 g/mL at 25 °C
굴절률: 20 · n20/D 1.489
인화점: 171 °F · 171 °F
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 9.25 · 9.25±0.10(Predicted)
물리적 상태: 액체
색상: 연한 갈색
InChI: InChI=1S/C8H16N2/c1-2-8(1)7-10-5-3-9-4-6-10/h8-9H,1-7H2
InChIKey: IVLIBVDZIYFXBZ-UHFFFAOYSA-N
SMILES: N1(CC2CC2)CCNCC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesEye Dam. 1 (100%)

안전 데이터

wgk: 2
ridadr: UN 1993 / PGIII
HS 번호: 2933599590
risk_code: 41
hazard_code: Xi
safety_code: 26-36/39
위험 참고 사항: Irritant
Hazard Classifications: Eye Dam. 1
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도1-(Cyclopropylmethyl)piperazine is a compound involved in the preparation of N-substituted piperazinopyridylsteroid derivatives as abiraterone analogs that inhibit growth and induce pro-apoptosis in human hormone-independent prostate cancer cell lines.