Home Other Building Blocks 1-benzyl-6-methyl-1,4-diazepane

1-benzyl-6-methyl-1,4-diazepane

CAS No.:
883518-60-3
Catalog Number:
AG01AM7B
Molecular Formula:
C13H20N2
Molecular Weight:
204.3113
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Product Description
Catalog Number:
AG01AM7B
Chemical Name:
1-benzyl-6-methyl-1,4-diazepane
CAS Number:
883518-60-3
Molecular Formula:
C13H20N2
Molecular Weight:
204.3113
MDL Number:
MFCD06799865
IUPAC Name:
1-benzyl-6-methyl-1,4-diazepane
InChI:
InChI=1S/C13H20N2/c1-12-9-14-7-8-15(10-12)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3
InChI Key:
DELQSIXFTFPJOQ-UHFFFAOYSA-N
SMILES:
CC1CNCCN(C1)Cc1ccccc1
Properties
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.163g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.317g/mol
Monoisotopic Mass:
204.163g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties