[4-[(4-메틸피페라진-1-YL)메틸]페닐]메틸아민

4-((4-Methyl-1-piperazinyl)methyl)benzenemethanamine

HCID 7537610

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 515162-20-6
표준 SMILES: CN1CCN(Cc2ccc(CN)cc2)CC1
InChIKey: HILINUGDTTXRNZ-UHFFFAOYSA-N
분자식: C13H21N3
평균 분자량: 219.33 g/mol
단동위원소 질량: 219.17354768

이름 및 식별자

우선 이름: 4-((4-Methyl-1-piperazinyl)methyl)benzenemethanamine
IUPAC: [4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
현지명: [4-[(4-메틸피페라진-1-YL)메틸]페닐]메틸아민
영어명: [4-[(4-Methylpiperazin-1-yl)methyl]phenyl]methylamine
분자식: C13H21N3
분자량: 219.33

이름 및 동의어

515162-20-64-((4-Methyl-1-piperazinyl)methyl)benzenemethanamine4-[(4-Methyl-1-piperazinyl)methyl]benzenemethanamineRefChem:2864104-[(4-Methyl-1-piperazinyl)methyl]benzylamine[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamineMFCD08060530(4-[(4-Methylpiperazin-1-yl)methyl]phenyl)methylamine{4-[(4-Methylpiperazin-1-yl)methyl]phenyl}methylamine(4-((4-methylpiperazin-1-yl)methyl)phenyl)methanamineBenzenemethanamine,4-[(4-methyl-1-piperazinyl)methyl]-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}methanamine

이름 더 보기

[4-[(4-메틸피페라진-1-YL)메틸]페닐]메틸아민AKOS BB-89214-(4-METHYL-PIPERAZIN-1-YLMETHYL)-BENZYLAMINE4-[(4-Methylpiperazin-1-yl)methyl]benzylamine 97%4-[(4-Methyl-1-piperazinyl)methyl]benzylamine 97%4-[(4-Methyl-1-piperazinyl)methyl]-benzenemethanamine1-(4-[(4-METHYLPIPERAZIN-1-YL)METHYL]PHENYL)METHANAMINE

Benzenemethanamine, 4-[(4-methyl-1-piperazinyl)methyl]-[4-[(4-METHYLPIPERAZIN-1-YL)METHYL]PHENYL]METHYLAMINE1-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}methanamineSCHEMBL111367DTXSID80428763HILINUGDTTXRNZ-UHFFFAOYSA-NQVA16220SBB095821

데이터베이스 식별자

CAS: 515162-20-6
PubChem CID: 7537610
DTXSID: DTXSID80428763
EC Number: 633-428-7
Nikkaji: J3.238.158H

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 32.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 191

물리화학적 성질

밀도: 1.0154 g/mL · 1.0154 g/mL at 25 °C
굴절률: 20 · n20/D 1.547
인화점: 110 °C · 110 °C
저장 조건: -20 °C, · -20°C, sealed storage, away from moisture and light
InChI: 1S/C13H21N3/c1-15-6-8-16(9-7-15)11-13-4-2-12(10-14)3-5-13/h2-5H,6-11,14H2,1H3
InChIKey: HILINUGDTTXRNZ-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)Cc2ccc(CN)cc2

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 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 CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
HS 번호: 2933599590
risk_code: 37/38-41
hazard_code: C,Xi
safety_code: 26-39
위험 참고 사항: Corrosive
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

공급사12 곳

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]

Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]

江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]

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