1-(3,4-디메틸페닐)피페라진

1-(3,4-Xylyl)piperazine

HCID 2723782

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1014-05-7
표준 SMILES: Cc1ccc(N2CCNCC2)cc1C
InChIKey: SFLNVAVCCYTHCQ-UHFFFAOYSA-N
분자식: C12H18N2
평균 분자량: 190.28 g/mol
단동위원소 질량: 190.14699858

이름 및 식별자

우선 이름: 1-(3,4-Xylyl)piperazine
IUPAC: 1-(3,4-dimethylphenyl)piperazine
현지명: 1-(3,4-디메틸페닐)피페라진
영어명: 1-(3,4-Dimethylphenyl)piperazine
분자식: C12H18N2
분자량: 190.28

이름 및 동의어

1-(3,4-Dimethylphenyl)piperazine1014-05-71-(3,4-Xylyl)piperazineEINECS 213-798-2DTXSID60143902RefChem:422865DTXCID8066393213-798-2Piperazine, 1-(3,4-dimethylphenyl)-MFCD000231291-(3,4-dimethyl-phenyl)-piperazine1-(3,4-Dimethylphenyl)-piperazine

이름 더 보기

1-(3,4-디메틸페닐)피페라진AKOS BB-5738TIMTEC-BB SBB003655RARECHEM AH CK 00944-(3,4-Dimethylphenyl)piperazine1-(3,4-Dimethylphenyl)piperazine 98%1-(3,4-dimethylphenyl)piperazin-4-ium1-(3,4-dimethylphenyl)piperazine DIHCL

(3,4-dimethylphenyl)piperazineKFW5PXM6BPSCHEMBL221254SCHEMBL1490019SCHEMBL3482596CHEMBL2335160Piperazine, 1-(3,4-xylyl)-1-(3,4-dimethyl-phenyl)piperazine

데이터베이스 식별자

CAS: 1014-05-7
PubChem CID: 2723782
DTXSID: DTXSID60143902
ChEMBL: CHEMBL2335160
UNII: KFW5PXM6BP
EC Number: 213-798-2
Nikkaji: J217.136H

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 15.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 175

물리화학적 성질

녹는점: 60 · 60-65°C
끓는 점: 110 °C · 110 °C
밀도: 1.032 · 1.0320 (rough estimate)
굴절률: 1.554 · 1.5540 (estimate)
인화점: 175 °C/10mm · 175°C/10mm
저장 조건: 2 · 2-8°C, stored under nitrogen
산도 계수 (pKa): 9.05 · 9.05±0.10(Predicted)
BRN: 610230 · 610230

화학적 성질 · 1건

1-(3,4-Dimethylphenyl)piperazine is a light beige to faintly yellow crystalline powder,the enantioselectivity and yields are high when it is used in the ring-opening reaction with an aliphatic allylic amine. This reaction is also efficient with nucleophiles such as primary amines or alcohols.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (16.7%)

안전 데이터

ridadr: 3259
HS 번호: 29335995
risk_code: 36/37/38-R36/37/38-36
hazard_code: Xi
safety_code: 24/25-S24/25
포장분류: II
위험 등급: 8
위험 참고 사항: Irritant

화학 및 산업

응용 분야

용도1-(3,4-Dimethylphenyl)piperazine is a chiral building block for the synthesis of polysubstituted piperazines. It can be used as a bridgehead to synthesize asymmetric amines.