2,3-DIHYDRO-1,4-벤조디옥신-6-일메틸아민

2,3-Dihydro-1,4-benzodioxin-6-methylamine

HCID 87102CAS 17413-10-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCc1ccc2c(c1)OCCO2
InChIKey: FUDYRLUSXBRPIA-UHFFFAOYSA-N
분자식: C9H11NO2
평균 분자량: 165.19 g/mol
단동위원소 질량: 165.07897859

이름 및 식별자

우선 이름: 2,3-Dihydro-1,4-benzodioxin-6-methylamine
IUPAC: 2,3-dihydro-1,4-benzodioxin-6-ylmethanamine
현지명: 2,3-DIHYDRO-1,4-벤조디옥신-6-일메틸아민
영어명: 2,3-DIHYDRO-1,4-BENZODIOXIN-6-YLMETHYLAMINE
분자식: C9H11NO2
분자량: 165.19

이름 및 동의어

17413-10-42,3-Dihydro-1,4-benzodioxin-6-methylamineDTXSID80169765EINECS 241-440-52,3-Dihydro-1,4-benzodioxin-6-methanamineRefChem:442172DTXCID9092256241-440-5(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)methanamine2,3-Dihydro-1,4-benzodioxin-6-ylmethylamine1,4-benzodioxin-6-methanamine, 2,3-dihydro-2,3-dihydro-1,4-benzodioxin-6-ylmethanamine

이름 더 보기

2,3-DIHYDRO-1,4-벤조디옥신-6-일메틸아민Compound Fr14522BUTTPARK 95\50-64RARECHEM AL BW 17442,3-Dihydro-1,4-benzodiacin-6-ylMethylaMine

6-(Aminomethyl)-1,4-benzodioxaneMFCD026776843,4-Ethylenedioxybenzylamine1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine1,4-Benzodioxin-6-methanamine,2,3-dihydro-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amine(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine3-Fluor-salicylald

데이터베이스 식별자

CAS: 17413-10-4
PubChem CID: 87102
DTXSID: DTXSID80169765
ChEMBL: CHEMBL4579007
UNII: VY2VGK4A37
EC Number: 241-440-5
Nikkaji: J287.043F

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 44.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 151

물리화학적 성질

끓는 점: 109 °C · 109 °C
밀도: 1.194 · 1.194±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 액체
산도 계수 (pKa): 9.31 · 9.31±0.29(Predicted)
색상: 노란색
InChI: 1S/C9H11NO2/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5H,3-4,6,10H2
InChIKey: FUDYRLUSXBRPIA-UHFFFAOYSA-N
SMILES: NCc1ccc2OCCOc2c1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.