CAS 56496-88-9 4-Methoxytoluene-2,5-diamine dihydrochloride (HCID 71587185)

기본 정보

CAS: 56496-88-9
표준 SMILES: COc1cc(N)c(C)cc1N.Cl.Cl
InChIKey: MAUAYDDABCDBRG-UHFFFAOYSA-N
분자식: C8H14Cl2N2O
평균 분자량: 225.11 g/mol
단동위원소 질량: 224.0483185

이름 및 식별자

우선 이름: 4-Methoxytoluene-2,5-diamine dihydrochloride
IUPAC: 2-methoxy-5-methylbenzene-1,4-diamine;dihydrochloride
현지명: 4-메톡시톨루엔-2,5-다이아민 및 그 염산염
영어명: 4-METHOXYTOLUENE-2,5-DIAMINE HCL
분자식: C8H13ClN2O
분자량: 188.65462

이름 및 동의어

56496-88-94-Methoxytoluene-2,5-diamine dihydrochlorideX9JJM46RYT4-Methoxytoluene-2,5-diamine HClUNII-X9JJM46RYT2-Methyl-5-methoxy-p-phenylenediamine dihydrochloride4-Methoxytoluene-2,5-diamine hydrochlorideDTXSID202050352-Methoxy-5-methyl-p-phenylenediamine dihydrochloride1,4-Benzenediamine, 2-methoxy-5-methyl-, dihydrochloride2-METHOXY-5-METHYL-1,4-PHENYLENEDIAMINE HYDROCHLORIDERefChem:99678

이름 더 보기

4-메톡시톨루엔-2,5-다이아민및그염산염4-메톡시톨루엔-2,5-다이아민에이치씨엘4-메톡시톨루엔-2,5-디아민HCL2-methoxy-5-methylbenzene-1,4-diamine:hydrochloride

DTXCID201275264-METHOXYTOLUENE-2,5-DIAMINE HCL [INCI]2-Methoxy-5-methylbenzene-1,4-diamine dihydrochloridestarbld0006670MAUAYDDABCDBRG-UHFFFAOYSA-N2-methoxy-5-methyl paraphenylenediamine dihydrochloride2-methoxy-5-methylbenzene-1,4-diamine;dihydrochlorideQ27293730

데이터베이스 식별자

CAS: 56496-88-9
PubChem CID: 71587185
DTXSID: DTXSID20205035
UNII: X9JJM46RYT

물성

구조 계산 물성

극성 표면적: 61.3 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 129

물리화학적 성질

화장품 원료 기능: 머리 염색

화학 및 산업

용도 및 제조

Use ClassificationCosmetics -> Hair dyeing

응용 분야

용도2-Methyl-5-methoxy-p-phenylenediamine dihydrochloride is a potentially toxic chemical most commonly used in hair dye formulations, and is suspected to cause allergic dermatitis in humans.