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4410-12-2 | 1-Benzyl-1,4-Diazepane
CAS No: 4410-12-2 Catalog No: AG003289 MDL No:MFCD00800858
Product Description
Catalog Number:
AG003289
Chemical Name:
1-Benzyl-1,4-Diazepane
CAS Number:
4410-12-2
Molecular Formula:
C12H18N2
Molecular Weight:
190.2847
MDL Number:
MFCD00800858
IUPAC Name:
1-benzyl-1,4-diazepane
InChI:
InChI=1S/C12H18N2/c1-2-5-12(6-3-1)11-14-9-4-7-13-8-10-14/h1-3,5-6,13H,4,7-11H2
InChI Key:
JTJTYCPQUOROFM-UHFFFAOYSA-N
SMILES:
N1CCCN(CC1)Cc1ccccc1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.147g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.29g/mol
Monoisotopic Mass:
190.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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