2,2-디메틸-2,3-디하이드로-1-벤조푸란-7-아민

2,2-디메틸-2,3-디하이드로-1-벤조푸란-7-아민 · 2,3-dihydro-2,2-dimethylbenzofuran-7-amine · 2,3-Dihydro-2,2-dimethyl-7-benzofuranamine · 2,3-DIHYDRO-2,2-DIMETHYL-7-AMINOBENZOFURAN · 7-Benzofuranamine, 2,3-dihydro-2,2-dimethyl- · 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-amine

https://huagongshe.com/ko/chemical/91697

식별자 및 물리적 특성

CAS No.	68298-46-4
분자식	C10H13NO
평균 분자량	163.22 g/mol
단동위원소 질량	163.09971404 g/mol
SMILES	CC1(C)Cc2cccc(N)c2O1
InChIKey	LMTIGABGABPAGU-UHFFFAOYSA-N
PubChem CID	91697
ChEMBL	CHEMBL3185165
EC No.	269-570-8
DTXSID	DTXSID2044715
현지명	2,2-디메틸-2,3-디하이드로-1-벤조푸란-7-아민

화학 및 물리적 성질

XLogP	1.8
극성 표면적	35.3
수소 결합 공여자 수	1
수소 결합 수용자 수	2
회전 가능 결합 수	0
무거운 원자 수	12
형식 전하	0
복잡도	179
Collision Cross Section	135.8 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID2044715]
끓는 점	60 °C(Press: 0.1 Torr)
밀도	1.086±0.06 g/cm3(Predicted)
pKa(산도 계수)	4.68±0.40(Predicted)
EPA	7-Benzofuranamine, 2,3-dihydro-2,2-dimethyl- (68298-46-4)

안전 및 규제

GHS 분류	WarningH302 (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 exposureRespiratory 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.
Hazard Classes and Categories	Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
TSCA 등재 상태	TSCA listed