Home Other Building Blocks [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl](ethyl)amine hydrochloride

[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl](ethyl)amine hydrochloride

CAS No.:
1197578-91-8
Catalog Number:
AG019X0Y
Molecular Formula:
C13H20ClNO2
Molecular Weight:
257.7564
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Product Description
Catalog Number:
AG019X0Y
Chemical Name:
[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl](ethyl)amine hydrochloride
CAS Number:
1197578-91-8
Molecular Formula:
C13H20ClNO2
Molecular Weight:
257.7564
MDL Number:
MFCD13195932
IUPAC Name:
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-ethylethanamine;hydrochloride
InChI:
InChI=1S/C13H19NO2.ClH/c1-3-14-10(2)11-5-6-12-13(9-11)16-8-4-7-15-12;/h5-6,9-10,14H,3-4,7-8H2,1-2H3;1H
InChI Key:
MBTDVWPNSDFLGM-UHFFFAOYSA-N
SMILES:
CCNC(c1ccc2c(c1)OCCCO2)C.Cl
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.118g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
257.758g/mol
Monoisotopic Mass:
257.118g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties