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Home > Other Heterocycles > 20965-15-5
20965-15-5 | 3,6-Diazabicyclo[3.1.0]hexane, 3-(phenylmethyl)-
CAS No: 20965-15-5 Catalog No: AG002KCB MDL No:
Product Description
Catalog Number:
AG002KCB
Chemical Name:
3,6-Diazabicyclo[3.1.0]hexane, 3-(phenylmethyl)-
CAS Number:
20965-15-5
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
IUPAC Name:
3-benzyl-3,6-diazabicyclo[3.1.0]hexane
InChI:
InChI=1S/C11H14N2/c1-2-4-9(5-3-1)6-13-7-10-11(8-13)12-10/h1-5,10-12H,6-8H2
InChI Key:
ULXQPXMCODDEEP-UHFFFAOYSA-N
SMILES:
N1C2C1CN(C2)Cc1ccccc1
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.116g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.247g/mol
Monoisotopic Mass:
174.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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