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Home > Other Heterocycles > 421554-68-9
421554-68-9 | 3,6-diazabicyclo[3.1.1]heptane
CAS No: 421554-68-9 Catalog No: AG019RIW MDL No:MFCD19442749
Product Description
Catalog Number:
AG019RIW
Chemical Name:
3,6-diazabicyclo[3.1.1]heptane
CAS Number:
421554-68-9
Molecular Formula:
C5H10N2
Molecular Weight:
98.1463
MDL Number:
MFCD19442749
IUPAC Name:
3,6-diazabicyclo[3.1.1]heptane
InChI:
InChI=1S/C5H10N2/c1-4-2-6-3-5(1)7-4/h4-7H,1-3H2
InChI Key:
YVHBSYTYLQYTOU-UHFFFAOYSA-N
SMILES:
N1CC2CC(C1)N2
Properties
Complexity:
74.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.084g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
98.149g/mol
Monoisotopic Mass:
98.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
Literature
| Title | Journal |
|---|---|
| Synthesis of 3,6-diazabicyclo[3.1.1]heptanes as novel ligands for neuronal nicotinic acetylcholine receptors. | Bioorganic & medicinal chemistry letters 20081201 |
| The mechanism of the (bispidine)copper(II)-catalyzed aziridination of styrene: a combined experimental and theoretical study. | Chemistry (Weinheim an der Bergstrasse, Germany) 20080101 |
| 3-{2-[Bis-(4-fluorophenyl)methoxy]ethyl}-6-substituted-3,6-diazabicyclo[3.1.1]heptanes as novel potent dopamine uptake inhibitors. | Bioorganic & medicinal chemistry 20070601 |
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