Ethylammonium nitrate

CAS Number: 22113-86-6
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CCN.[O-][N+](O)=O
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HNO3.C2H7N
Molecular Weight
63.0119
Drug-likeness
-5.509
CAS
22113-86-6
InChI key
NWMKOQWBSZQAMG-UHFFFAOYSA-N
SMILES
CCN.[O-][N+](O)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 22113-86-6
Molecule Name Ethylammonium nitrate
Molecular Formula HNO3.C2H7N
SMILES CCN.[O-][N+](O)=O
InChI InChI=1S/C2H7N.HNO3/c1-2-3;2-1(3)4/h2-3H2,1H3;(H,2,3,4)
InChI Key NWMKOQWBSZQAMG-UHFFFAOYSA-N
CanonicalSyTyLFy 4110c2bbf072238b
TotalMolweight 108.097
Molecular Weight 63.0119
MonoisotopicMass 62.995644
CLogP -0.8585
CLogS -1.108
H Acceptors 4
H Donors 1
TotalSurfaceArea 43.52
Relative PSA 1
PolarSurfaceArea 66.05
Drug-likeness -5.509
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.75
Fragments 2
Non HAtoms 4
NonCHAtoms 4
Electronegative Atoms 4
Sp3Atoms 2
AcidicOxygens 2

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