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Home > Other Heterocycles > 1416439-26-3
1416439-26-3 | 3,8-Diazabicyclo[4.2.0]octane, 8-(phenylmethyl)-
CAS No: 1416439-26-3 Catalog No: AG001GSB MDL No:
Product Description
Catalog Number:
AG001GSB
Chemical Name:
3,8-Diazabicyclo[4.2.0]octane, 8-(phenylmethyl)-
CAS Number:
1416439-26-3
Molecular Formula:
C13H18N2
Molecular Weight:
202.2954
IUPAC Name:
8-benzyl-3,8-diazabicyclo[4.2.0]octane
InChI:
InChI=1S/C13H18N2/c1-2-4-11(5-3-1)9-15-10-12-6-7-14-8-13(12)15/h1-5,12-14H,6-10H2
InChI Key:
BLCVYHKAZCBAKF-UHFFFAOYSA-N
SMILES:
N1CCC2C(C1)N(C2)Cc1ccccc1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.301g/mol
Monoisotopic Mass:
202.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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