6-Methyl-1,3-dioxaindan-5-amine

HCID 12445340CAS 62052-49-7

기본 정보

표준 SMILES: Cc1cc2c(cc1N)OCO2
InChIKey: PFLGEPXBHVTBNJ-UHFFFAOYSA-N
분자식: C8H9NO2
평균 분자량: 151.16 g/mol
단동위원소 질량: 151.06332853

이름 및 식별자

우선 이름: 6-Methyl-1,3-dioxaindan-5-amine
IUPAC: 6-methyl-1,3-benzodioxol-5-amine
영어명: CHEMBRDG-BB 9071726
분자식: C8H9NO2
분자량: 151.16

이름 및 동의어

6-methyl-1,3-dioxaindan-5-amineRefChem:543770964-194-762052-49-76-Methylbenzo[d][1,3]dioxol-5-amine(6-Methyl-1,3-benzodioxol-5-yl)amine6-methyl-1,3-benzodioxol-5-amine6-methyl-2H-1,3-benzodioxol-5-amineMFCD006665996-methyl-2H-benzo[d]1,3-dioxolene-5-ylamineSCHEMBL1027495SCHEMBL30030734

이름 더 보기

CHEMBRDG-BB 90717261,3-Benzodioxol-5-amine, 6-methyl-3,4-(Methylenedioxy)-6-methylaniline(6-methyl-1,3-benzodioxol-5-yl)amine(SALTDATA: FREE)

DTXSID60498520PFLGEPXBHVTBNJ-UHFFFAOYSA-NALBB-025243SBB072242STK895046(3,4-methylenedioxy)-6-methylanilineAKOS003351192CCG-344703

데이터베이스 식별자

CAS: 62052-49-7
PubChem CID: 12445340
DTXSID: DTXSID60498520
EC Number: 964-194-7

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 44.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 151

물리화학적 성질

끓는 점: 288.7 · 288.7±39.0 °C(Predicted)
밀도: 1.268 · 1.268±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 4.63 · 4.63±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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.