1-(4-메톡시벤질)피페라진

1-((4-Methoxyphenyl)methyl)piperazine

HCID 231905CAS 21867-69-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc(CN2CCNCC2)cc1
InChIKey: MGLUVVBFISROAH-UHFFFAOYSA-N
분자식: C12H18N2O
평균 분자량: 206.28 g/mol
단동위원소 질량: 206.1419132

이름 및 식별자

우선 이름: 1-((4-Methoxyphenyl)methyl)piperazine
IUPAC: 1-[(4-methoxyphenyl)methyl]piperazine
현지명: 1-(4-메톡시벤질)피페라진
영어명: 1-(4-METHOXYBENZYL)PIPERAZINE
분자식: C12H18N2O
분자량: 206.28

이름 및 동의어

21867-69-61-[(4-methoxyphenyl)methyl]piperazineDTXSID909444691-((4-Methoxyphenyl)methyl)piperazineRefChem:1053654DTXCID301010138626-305-41-(4-Methoxybenzyl)piperazinePiperazine,1-[(4-methoxyphenyl)methyl]-MFCD010752361-(4-Methoxy-benzyl)-piperazine4-methoxy-1-(piperazinylmethyl)benzene

이름 더 보기

1-(4-메톡시벤질)피페라진AKOS B004007BUTTPARK 36\08-53AKOS BBS-00007025TIMTEC-BB SBB003485ART-CHEM-BB B004007MethoxybenzylpiperazinePiperazine, 1-(4-methoxybenzyl)-1-(4-Methoxybenzyl)piperazine 98%1-(4-Methoxybenzyl)piperazine,97%

4-methoxy BZPNSC28737p-MeOBPp-MeOBZP(4-methoxybenzyl)piperazinepara-methyoxybenzylpiperazineOprea1_088868Oprea1_442828

데이터베이스 식별자

CAS: 21867-69-6
PubChem CID: 231905
DTXSID: DTXSID90944469
ChEMBL: CHEMBL1623354
EC Number: 626-305-4
Nikkaji: J2.315.342D

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 24.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 172

물리화학적 성질

녹는점: 32 · 32-36 °C (lit.)
끓는 점: 144 °C · 144 °C
밀도: 1.053 · 1.053±0.06 g/cm3(Predicted)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C, protect from light
물리적 상태: 고체
산도 계수 (pKa): 9.15 · 9.15±0.10(Predicted)
색상: 흰색에서 노란색으로
InChI: InChI=1S/C12H18N2O/c1-15-12-4-2-11(3-5-12)10-14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3
InChIKey: MGLUVVBFISROAH-UHFFFAOYSA-N
SMILES: N1(CC2=CC=C(OC)C=C2)CCNCC1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (92.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)；Eye Irrit. 2 (92.7%)

안전 데이터

wgk: 2
risk_code: 22
hazard_code: Xn,Xi
safety_code: 26-36/37/39
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도1-(4-Methoxybenzyl)piperazine is used as a pharmaceutical intermediate.

상·하류 제품 정보

상류 원료

공급사50 곳

苏州道澜生物医药科技有限公司15952404857 · [email protected]

合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]

Suzhou Yuanrui Bio-Tech Co., Ltd+86-18106132862 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]

연결된 노트

불러오는 중…