2-aminoethanol;bis(nitric acid)

C2H9N3O7 — CID 22257240

IUPAC2-aminoethanol;bis(nitric acid)
SMILESNCCO.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/C2H7NO.2HNO3/c3-1-2-4;2*2-1(3)4/h4H,1-3H2;2*(H,2,3,4)
InChIKeyOKZKZRACAIQAQK-UHFFFAOYSA-N
MW187.11 g/mol
LogP-1.76
Rot. Bonds1

About 2-aminoethanol;bis(nitric acid)

2-aminoethanol;bis(nitric acid) (PubChem CID 22257240) has the molecular formula C2H9N3O7 and a molecular weight of 187.11 g/mol. Its IUPAC name is 2-aminoethanol;bis(nitric acid).

Molecular Properties

Compound Name2-aminoethanol;bis(nitric acid)
PubChem CID22257240
Molecular FormulaC2H9N3O7
Molecular Weight187.11 g/mol
Exact Mass187.04
IUPAC Name2-aminoethanol;bis(nitric acid)
SMILESNCCO.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/C2H7NO.2HNO3/c3-1-2-4;2*2-1(3)4/h4H,1-3H2;2*(H,2,3,4)
InChIKeyOKZKZRACAIQAQK-UHFFFAOYSA-N
XLogP-1.76
TPSA172.99 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.11
LogP ≤ 5-1.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 86737465
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2-aminoethanol
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butane;ethanamine;bis(nitric acid)
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ethanol;nitramide;bis(nitric acid)
CID 159870281
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CID 3015097
azane;guanidine;bis(nitric acid)
CID 174540476
2-methylpropan-1-amine;nitric acid
CID 71390480
azane;tetrakis(nitric acid)
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CID 173119618
CID 173119618
2-amino(113C)ethanol;hydrochloride
CID 13000307

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;bis(nitric acid)?
The IUPAC name of 2-aminoethanol;bis(nitric acid) (CID 22257240) is 2-aminoethanol;bis(nitric acid).
What is the SMILES notation for 2-aminoethanol;bis(nitric acid)?
The canonical SMILES for 2-aminoethanol;bis(nitric acid) is NCCO.O=[N+]([O-])O.O=[N+]([O-])O.
What is the InChIKey of 2-aminoethanol;bis(nitric acid)?
The InChIKey is OKZKZRACAIQAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO.2HNO3/c3-1-2-4;2*2-1(3)4/h4H,1-3H2;2*(H,2,3,4).
What are the key properties of 2-aminoethanol;bis(nitric acid)?
2-aminoethanol;bis(nitric acid) has a molecular weight of 187.11 g/mol, XLogP of -1.76, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;bis(nitric acid) is sourced from PubChem (CID 22257240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).