1-aminoethanol;bis(nitric acid)

C2H9N3O7 — CID 173099484

IUPAC1-aminoethanol;bis(nitric acid)
SMILESCC(N)O.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/C2H7NO.2HNO3/c1-2(3)4;2*2-1(3)4/h2,4H,3H2,1H3;2*(H,2,3,4)
InChIKeyIDQUGFLTIHDCRV-UHFFFAOYSA-N
MW187.11 g/mol
LogP-1.41
Rot. Bonds

About 1-aminoethanol;bis(nitric acid)

1-aminoethanol;bis(nitric acid) (PubChem CID 173099484) has the molecular formula C2H9N3O7 and a molecular weight of 187.11 g/mol. Its IUPAC name is 1-aminoethanol;bis(nitric acid).

Molecular Properties

Compound Name1-aminoethanol;bis(nitric acid)
PubChem CID173099484
Molecular FormulaC2H9N3O7
Molecular Weight187.11 g/mol
Exact Mass187.04
IUPAC Name1-aminoethanol;bis(nitric acid)
SMILESCC(N)O.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/C2H7NO.2HNO3/c1-2(3)4;2*2-1(3)4/h2,4H,3H2,1H3;2*(H,2,3,4)
InChIKeyIDQUGFLTIHDCRV-UHFFFAOYSA-N
XLogP-1.41
TPSA172.99 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.11
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 87726706
2-methylpropan-1-amine;nitric acid
CID 71390480
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CID 172773063
2-methylbutane;nitric acid
CID 158412732
methanol;nitric acid;yttrium
CID 20642582
azane;1-nitroethanol
CID 88789428
copper 1-nitroethanol
CID 87244389
nickel;nitric acid
CID 157159085
nitric acid;dodecahydrate
CID 172786901
tris(nitric acid);hexahydrate
CID 161328835
azane;tetrakis(nitric acid)
CID 173388272
CID 173119618
CID 173119618

Frequently Asked Questions

What is the IUPAC name of 1-aminoethanol;bis(nitric acid)?
The IUPAC name of 1-aminoethanol;bis(nitric acid) (CID 173099484) is 1-aminoethanol;bis(nitric acid).
What is the SMILES notation for 1-aminoethanol;bis(nitric acid)?
The canonical SMILES for 1-aminoethanol;bis(nitric acid) is CC(N)O.O=[N+]([O-])O.O=[N+]([O-])O.
What is the InChIKey of 1-aminoethanol;bis(nitric acid)?
The InChIKey is IDQUGFLTIHDCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO.2HNO3/c1-2(3)4;2*2-1(3)4/h2,4H,3H2,1H3;2*(H,2,3,4).
What are the key properties of 1-aminoethanol;bis(nitric acid)?
1-aminoethanol;bis(nitric acid) has a molecular weight of 187.11 g/mol, XLogP of -1.41, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethanol;bis(nitric acid) is sourced from PubChem (CID 173099484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).