2,2-디메틸-2,3-디하이드로-1-벤조푸란-7-아민

2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-amine

HCID 91697CAS 68298-46-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1(C)Cc2cccc(N)c2O1
InChIKey: LMTIGABGABPAGU-UHFFFAOYSA-N
분자식: C10H13NO
평균 분자량: 163.22 g/mol
단동위원소 질량: 163.09971404

이름 및 식별자

우선 이름: 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-amine
IUPAC: 2,2-dimethyl-3H-1-benzofuran-7-amine
현지명: 2,2-디메틸-2,3-디하이드로-1-벤조푸란-7-아민
영어명: 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-amine
분자식: C10H13NO
분자량: 163.22

이름 및 동의어

2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-amine68298-46-47-Amino-2,3-dihydro-2,2-dimethylbenzofuranDTXSID20447157-Benzofuranamine, 2,3-dihydro-2,2-dimethyl-EINECS 269-570-82,3-Dihydro-2,2-dimethyl-7-aminobenzofuranC3E03FDP2FDTXCID0024715(2,2-DIMETHYL-2,3-DIHYDROBENZOFURAN-7-YL)AMINERefChem:4412672,2-dimethyl-3H-1-benzofuran-7-amine

이름 더 보기

2,2-디메틸-2,3-디하이드로-1-벤조푸란-7-아민

2,3-Dihydro-2,2-dimethylbenzofuran-7-amine2,2-Dimethyl-2,3-dihydrobenzofuran-7-amineMFCD00075581UNII-C3E03FDP2F2,3-Dihydro-2,2-dimethyl-7-benzofuranamine7-Amino-2,2-dimethyl-2,3-dihydrobenzofuranSCHEMBL569823orb3029887

데이터베이스 식별자

CAS: 68298-46-4
PubChem CID: 91697
DTXSID: DTXSID2044715
ChEMBL: CHEMBL3185165
UNII: C3E03FDP2F
EC Number: 269-570-8
Nikkaji: J289.151D

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 35.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 179

실험 및 물리화학적 성질

Collision Cross Section135.8 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID2044715]

물리화학적 성질

끓는 점: 60 °C · 60 °C(Press: 0.1 Torr)
밀도: 1.086 · 1.086±0.06 g/cm3(Predicted)
산도 계수 (pKa): 4.68 · 4.68±0.40(Predicted)
EPA: 7 · 7-Benzofuranamine, 2,3-dihydro-2,2-dimethyl- (68298-46-4)

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.