Home Other Building Blocks 1-(2-methoxyphenyl)-5-methyl-1,4-diazepane dihydrochloride

1-(2-methoxyphenyl)-5-methyl-1,4-diazepane dihydrochloride

CAS No.:
1803599-71-4
Catalog Number:
AG01ACI6
Molecular Formula:
C13H22Cl2N2O
Molecular Weight:
293.2326
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Product Description
Catalog Number:
AG01ACI6
Chemical Name:
1-(2-methoxyphenyl)-5-methyl-1,4-diazepane dihydrochloride
CAS Number:
1803599-71-4
Molecular Formula:
C13H22Cl2N2O
Molecular Weight:
293.2326
MDL Number:
MFCD26407999
IUPAC Name:
1-(2-methoxyphenyl)-5-methyl-1,4-diazepane;dihydrochloride
InChI:
InChI=1S/C13H20N2O.2ClH/c1-11-7-9-15(10-8-14-11)12-5-3-4-6-13(12)16-2;;/h3-6,11,14H,7-10H2,1-2H3;2*1H
InChI Key:
PEHDLXQJIKCGMM-UHFFFAOYSA-N
SMILES:
COc1ccccc1N1CCNC(CC1)C.Cl.Cl
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.111g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
293.232g/mol
Monoisotopic Mass:
292.111g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
24.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties