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Ethylamine, 2-(1,4-benzodioxan-6-yloxy)-N,N-dimethyl-, hydrochloride

HCID 18708
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
3308-62-1
Standard SMILES
C[NH+](C)CCOc1ccc2c(c1)OCCO2.[Cl-]
InChIKey
VRCSNYKNBODDIM-UHFFFAOYSA-N
Molecular formula
C12H18ClNO3
Average molar mass
259.73 g/mol
Monoisotopic mass
259.0975211

Names & identifiers

Preferred name
Ethylamine, 2-(1,4-benzodioxan-6-yloxy)-N,N-dimethyl-, hydrochloride
IUPAC
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)ethyl-dimethylazanium chloride
English name
Ethanamine, 2-[(2,3-dihydro-1,4-benzodioxin-6-yl)oxy]-N,N-dimethyl-, hydrochloride (1:1)
Molecular formula
C12H17NO3.ClH
Molecular weight
259.73

Names & synonyms

3308-62-1ETHYLAMINE, 2-(1,4-BENZODIOXAN-6-YLOXY)-N,N-DIMETHYL-, HYDROCHLORIDE2-(1,4-Benzodioxan-6-yloxy)-N,N-dimethylethylamine hydrochlorideRefChem:345110P-302-(2,3-dihydro-1,4-benzodioxin-6-yloxy)ethyl-dimethylazanium;chloride2-(2,3-Dihydro-1,4-benzodioxin-6-yloxy)-N,N-dimethylethanamine

Database identifiers

CAS
3308-62-1
PubChem CID
18708

Properties

Computed structural properties

Topological polar surface area
32.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
17
Formal charge
0
Complexity
210

Physicochemical properties

storage temp.
-20 °C · -20°C
form
solution
InChI
1S/C12H17NO3.ClH/c1-13(2)5-6-14-10-3-4-11-12(9-10)16-8-7-15-11;/h3-4,9H,5-8H2,1-2H3;1H
InChIKey
VRCSNYKNBODDIM-UHFFFAOYSA-N
SMILES
Cl.CN(C)CCOc1ccc2OCCOc2c1
UNSPSC Code
12352204 · 12352204
NACRES
54 · NA.54
Storage Class
10 · 10 - Combustible liquids

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Storage Class
10 - Combustible liquids

Chemistry & industry

Applications · 1 item

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Suppliers1 total

西格玛奥德里奇(上海)贸易有限公司21-20338288 · [email protected]

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Compound notes

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