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Homopiperazine (Standard)

CAT: 0804-HY-W007768RSize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W007768RSize:1 Each
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Description
Homopiperazine (Standard) is the analytical standard of Homopiperazine. This product is intended for research and analytical applications.
CAS Number
505-66-8
UNSPSC
12352005
Hazard Statement
H311-H314-H318
Target
Reference Standards
Related Pathways
Others
Smiles
N1CCNCCC1
Molecular Formula
C5H12N2
Molecular Weight
100.17
Precautions
P260-P264-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P361+P364-P363-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Hexahydro-1,4-diazepine
CAS Number505-66-8
PubChem CID68163
IUPAC Name1,4-diazepane
Molecular FormulaC5H12N2
Molecular Weight100.16
XLogP-0.5
Topological Polar Surface Area24.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity39
SMILES
C1CNCCNC1
InChI
InChI=1S/C5H12N2/c1-2-6-4-5-7-3-1/h6-7H,1-5H2
InChIKey
FQUYSHZXSKYCSY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hexahydro-1,4-diazepine
CAS: 505-66-8
CID: 68163
Formula: C5H12N2
MW: 100.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight100.16
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass100.100048391
Monoisotopic Mass100.100048391
Topological Polar Surface Area24.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity39.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes