1,4-Benzodioxan-6-ylamine

HCID 89148CAS 22013-33-8
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1ccc2c(c1)OCCO2
InChIKey
BZKOZYWGZKRTIB-UHFFFAOYSA-N
Molecular formula
C8H9NO2
Average molar mass
151.16 g/mol
Monoisotopic mass
151.06332853

Names & identifiers

Preferred name
1,4-Benzodioxan-6-ylamine
IUPAC
2,3-dihydro-1,4-benzodioxin-6-amine
English name
1,4-Benzodioxan-6-amine
Molecular formula
C8H9NO2
Molecular weight
151.16

Names & synonyms

22013-33-81,4-Benzodioxan-6-amine6-Amino-1,4-benzodioxane1,4-Benzodioxan-6-ylamine1,4-Benzodioxin-6-amine, 2,3-dihydro-DTXSID50176461EINECS 244-718-4RefChem:416358DTXCID2098952244-718-42,3-Dihydro-1,4-benzodioxin-6-amine2,3-Dihydrobenzo[b][1,4]dioxin-6-amine
Show more names
6-Amino-2,3-dihydro-1,4-benzodioxineAKOS AUF02030AKOS BBS-00000780LABOTEST-BB LT00012696-Amino-1,4-benzodioxan3,4-ETHYLENDIOXYANILINE
3,4-Ethylenedioxyaniline6-Amino-1,4-benzodioxanMFCD00006824(3,4-Ethylenedioxy)anilineOprea1_6912701,4-Benzodioxan-6-amine, >=98%AKOS0001125492,3-dihydrobenzo[1,4]dioxin-6-ylamine

Database identifiers

CAS
22013-33-8
PubChem CID
89148
DTXSID
DTXSID50176461
EC Number
244-718-4
Nikkaji
J208.496A

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
44.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
11

Physicochemical properties

Melting point
29 · 29-31 °C (lit.)
Boiling point
116 · 116-118°C 3mm
Density
1.231 g/mL · 1.231 g/mL (lit.)
refractive index
20 · n20/D 1.599(lit.)
Flash point
230 °F · >230 °F
storage temp.
2 · Keep in dark place,Inert atmosphere,2-8°C

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information6-Amino-1,4-benzodioxane: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (98%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
ridadr
2810
hs_code
29329995
risk_code
20/21/22-36/37/38-38
Signal word
Warning

Chemistry & industry

Applications

Uses1,4-Benzodioxan-6-amine was used in the synthesis of N-(2-hydroxy-ethyl)-2,3-didehydroazapodophyllotoxins having anti-tumor activity and dioxanoacridinones.

Uses3,4-Ethylenedioxyaniline is a probe fragment screened to identify its ability to induce a conformation in HIV-1 transactivation response element (TAR) RNA in efforts to develop TAR-binding antiviral d rugs.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Related reactions

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Linked notes

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