Home Other Building Blocks 3,4-dihydro-2H-1,5-benzodioxepin-6-amine hydrochloride

3,4-dihydro-2H-1,5-benzodioxepin-6-amine hydrochloride

CAS No.:
115464-85-2
Catalog Number:
AG01BS44
Molecular Formula:
C9H12ClNO2
Molecular Weight:
201.6501
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Product Description
Catalog Number:
AG01BS44
Chemical Name:
3,4-dihydro-2H-1,5-benzodioxepin-6-amine hydrochloride
CAS Number:
115464-85-2
Molecular Formula:
C9H12ClNO2
Molecular Weight:
201.6501
MDL Number:
MFCD25955976
IUPAC Name:
3,4-dihydro-2H-1,5-benzodioxepin-6-amine;hydrochloride
InChI:
InChI=1S/C9H11NO2.ClH/c10-7-3-1-4-8-9(7)12-6-2-5-11-8;/h1,3-4H,2,5-6,10H2;1H
InChI Key:
SXAMVGWLAZXOHO-UHFFFAOYSA-N
SMILES:
Nc1cccc2c1OCCCO2.Cl
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.056g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
201.65g/mol
Monoisotopic Mass:
201.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties