1-(4-아미노-3-메톡시페닐)-4-메틸피페라진

2-Methoxy-4-(4-methylpiperazin-1-yl)aniline

HCID 20136253

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 122833-04-9
표준 SMILES: COc1cc(N2CCN(C)CC2)ccc1N
InChIKey: LUYPGLRYFIVYTH-UHFFFAOYSA-N
분자식: C12H19N3O
평균 분자량: 221.3 g/mol
단동위원소 질량: 221.15281224

이름 및 식별자

우선 이름: 2-Methoxy-4-(4-methylpiperazin-1-yl)aniline
IUPAC: 2-methoxy-4-(4-methylpiperazin-1-yl)aniline
현지명: 1-(4-아미노-3-메톡시페닐)-4-메틸피페라진
영어명: 1-(4-AMINO-3-METHOXYPHENYL)-4-METHYLPIPERAZINE
분자식: C12H19N3O
분자량: 221.3

이름 및 동의어

2-Methoxy-4-(4-methylpiperazin-1-yl)aniline122833-04-9DTXSID90602870RefChem:262556DTXCID00553627887-568-0Benzenamine, 2-methoxy-4-(4-methyl-1-piperazinyl)-MFCD118489541-(4-AMINO-3-METHOXYPHENYL)-4-METHYLPIPERAZINE2-Methoxy-4-(4-methyl-1-piperazinyl)anilineSCHEMBL438444BENZENAMINE, 2-METHOXY-4-(4-METHYL-1-PIPERAZINYL)

이름 더 보기

1-(4-아미노-3-메톡시페닐)-4-메틸피페라진2-Methoxy-4-(4-methyl-piperazin-1-yl)-phenylamine2-Methoxy-4-(4-methylpiperazin-1-yl)2-methoxy-4-(4-methylazine-1-yl)benzeneamine2-Methoxy-4-(4-methylpiperazin-1-yl)benzenamine2-Methoxy-4-(4-methyl-1-piperazinyl)benzenamineMorphinan-3,14-diol,4,5-epoxy-6-(3,6,9,12,15,18,21-heptaoxadocos-1-yloxy)-17-(2-propen-1-yl)-,(5α,6α)-,ethanedioate(1:4)(salt)

LUYPGLRYFIVYTH-SCHEMBL29446146LUYPGLRYFIVYTH-UHFFFAOYSA-NCS-M2488SC5116AKOS012981420NCGC00386579-01AC-27545

데이터베이스 식별자

CAS: 122833-04-9
PubChem CID: 20136253
DTXSID: DTXSID90602870
EC Number: 887-568-0

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 41.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 216

물리화학적 성질

녹는점: 73 · 73-74°
끓는 점: 392 ℃ · 392℃
밀도: 1.111 · 1.111
인화점: 191 ℃ · 191℃
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 7.78 · 7.78±0.42(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.