Home Other Building Blocks 1-BENZYL-2-METHYL-1,4-DIAZEPANE

1-BENZYL-2-METHYL-1,4-DIAZEPANE

CAS No.:
67744-47-2
Catalog Number:
AG01E09T
Molecular Formula:
C13H20N2
Molecular Weight:
204.3113
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Product Description
Catalog Number:
AG01E09T
Chemical Name:
1-BENZYL-2-METHYL-1,4-DIAZEPANE
CAS Number:
67744-47-2
Molecular Formula:
C13H20N2
Molecular Weight:
204.3113
MDL Number:
MFCD19286028
IUPAC Name:
1-benzyl-2-methyl-1,4-diazepane
InChI:
InChI=1S/C13H20N2/c1-12-10-14-8-5-9-15(12)11-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3
InChI Key:
FBACUGZJIQWNBG-UHFFFAOYSA-N
SMILES:
CC1CNCCCN1Cc1ccccc1
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