2-(2,3-Dihydro-1,4-benzodioxin-2-yl)ethanamine

HCID 55648
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Basic information

CAS
87086-36-0
Standard SMILES
NCCC1COc2ccccc2O1
InChIKey
BIDRHBDWACXXJK-UHFFFAOYSA-N
Molecular formula
C10H13NO2
Average molar mass
179.22 g/mol
Monoisotopic mass
179.09462866

Names & identifiers

Preferred name
2-(2,3-Dihydro-1,4-benzodioxin-2-yl)ethanamine
IUPAC
2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine
English name
2-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-ethylamine
Molecular formula
C10H13NO2
Molecular weight
179.22

Names & synonyms

2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethanamineRefChem:451792805-086-087086-36-02-(2,3-DIHYDRO-BENZO[1,4]DIOXIN-2-YL)-ETHYLAMINE2-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-2-YL)ETHANAMINE2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethan-1-amineMFCD016594612-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine2-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)ethylamine1,4-BENZODIOXAN-2-ETHYLAMINEBRN 0164568
Show more names
RARECHEM AN KA 0867CHEMBRDG-BB 41019051,4-Benzodioxin-2-ethanamine, 2,3-dihydro-2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethanamine(SALTDATA: FREE)
2-(2H,3H-benzo[e]1,4-dioxan-2-yl)ethylamine2(2-Aminoethyl)-1,4-benzodioxanChemDiv3_0067254-19-00-04128 (Beilstein Handbook Reference)SCHEMBL406531CHEMBL4580065BIDRHBDWACXXJK-UHFFFAOYSA-NDTXSID301007333

Database identifiers

CAS
87086-36-0
PubChem CID
55648
DTXSID
DTXSID301007333
ChEMBL
CHEMBL4580065
EC Number
805-086-0
Nikkaji
J71.425I

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
44.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
13

Physicochemical properties

Boiling point
85 · 85-86 °C(Press: 0.03 Torr)
Density
1.122 · 1.122±0.06 g/cm3(Predicted)
pka
9.56 · 9.56±0.10(Predicted)
EWG's Food Scores
1 · 1
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

GHS classification

GHS ClassificationNot Classified

Hazard information

Hazard Classes and CategoriesNot Classified

Safety data

hs_code
2932990090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers4 total

凯试（上海）科技有限公司021-50135380 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
上海智乾生物科技有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]

Related reactions

18 records
New reaction record

Compound notes

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