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Home Other Building Blocks 6,7,8-trimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine

6,7,8-trimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine

CAS No.:
37015-26-2
Catalog Number:
AG01A1BE
Molecular Formula:
C13H19NO3
Molecular Weight:
237.2949
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Product Description
Catalog Number:
AG01A1BE
Chemical Name:
6,7,8-trimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine
CAS Number:
37015-26-2
Molecular Formula:
C13H19NO3
Molecular Weight:
237.2949
MDL Number:
MFCD11203695
IUPAC Name:
6,7,8-trimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine
InChI:
InChI=1S/C13H19NO3/c1-15-11-8-9-4-6-14-7-5-10(9)12(16-2)13(11)17-3/h8,14H,4-7H2,1-3H3
InChI Key:
GXKGSTKQWIGJQT-UHFFFAOYSA-N
SMILES:
COc1cc2CCNCCc2c(c1OC)OC
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.136g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
237.299g/mol
Monoisotopic Mass:
237.136g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties