(2R,4R)-2,4-Diazidopentane

CAS Number: 798568-75-9
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C[C@H](C[C@@H](C)N=[N+]=[N-])N=[N+]=[N-]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C5H10N6
Molecular Weight
154.176
Drug-likeness
0.1225
CAS
798568-75-9
InChI key
AWJFANPWIBNSDY-RFZPGFLSSA-N
SMILES
C[C@H](C[C@@H](C)N=[N+]=[N-])N=[N+]=[N-]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 798568-75-9
Molecule Name (2R,4R)-2,4-Diazidopentane
Molecular Formula C5H10N6
SMILES C[C@H](C[C@@H](C)N=[N+]=[N-])N=[N+]=[N-]
InChI InChI=1S/C5H10N6/c1-4(8-10-6)3-5(2)9-11-7/h4-5H,3H2,1-2H3/t4-,5-/m1/s1
InChI Key AWJFANPWIBNSDY-RFZPGFLSSA-N
CanonicalSyTyLFy bae24f06a7992ee0
TotalMolweight 154.176
Molecular Weight 154.176
MonoisotopicMass 154.096694
CLogP 0.7598
CLogS -1.658
H Acceptors 6
TotalSurfaceArea 138.06
Relative PSA 0.54165
PolarSurfaceArea 51.92
Drug-likeness 0.1225
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.81818
Molecula Flexibility 0.68346
Molecular Complexity 0.52781
Fragments 1
Non HAtoms 11
NonCHAtoms 6
Electronegative Atoms 6
StereoCenters 2
Rotatable Bond 4
Sp3Atoms 5
Symmetricatoms 5
StereoCon this enantiomer

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