3-aminopropyl nitrate;nitric acid

C3H9N3O6 — CID 22014591

IUPAC3-aminopropyl nitrate;nitric acid
SMILESNCCCO[N+](=O)[O-].O=[N+]([O-])O
InChIInChI=1S/C3H8N2O3.HNO3/c4-2-1-3-8-5(6)7;2-1(3)4/h1-4H2;(H,2,3,4)
InChIKeyPRXYGWCVUQFOOD-UHFFFAOYSA-N
MW183.12 g/mol
LogP-0.80
Rot. Bonds4

About 3-aminopropyl nitrate;nitric acid

3-aminopropyl nitrate;nitric acid (PubChem CID 22014591) has the molecular formula C3H9N3O6 and a molecular weight of 183.12 g/mol. Its IUPAC name is 3-aminopropyl nitrate;nitric acid.

Molecular Properties

Compound Name3-aminopropyl nitrate;nitric acid
PubChem CID22014591
Molecular FormulaC3H9N3O6
Molecular Weight183.12 g/mol
Exact Mass183.05
IUPAC Name3-aminopropyl nitrate;nitric acid
SMILESNCCCO[N+](=O)[O-].O=[N+]([O-])O
InChIInChI=1S/C3H8N2O3.HNO3/c4-2-1-3-8-5(6)7;2-1(3)4/h1-4H2;(H,2,3,4)
InChIKeyPRXYGWCVUQFOOD-UHFFFAOYSA-N
XLogP-0.80
TPSA141.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.12
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-aminopropyl nitrate;nitric acid?
The IUPAC name of 3-aminopropyl nitrate;nitric acid (CID 22014591) is 3-aminopropyl nitrate;nitric acid.
What is the SMILES notation for 3-aminopropyl nitrate;nitric acid?
The canonical SMILES for 3-aminopropyl nitrate;nitric acid is NCCCO[N+](=O)[O-].O=[N+]([O-])O.
What is the InChIKey of 3-aminopropyl nitrate;nitric acid?
The InChIKey is PRXYGWCVUQFOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O3.HNO3/c4-2-1-3-8-5(6)7;2-1(3)4/h1-4H2;(H,2,3,4).
What are the key properties of 3-aminopropyl nitrate;nitric acid?
3-aminopropyl nitrate;nitric acid has a molecular weight of 183.12 g/mol, XLogP of -0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl nitrate;nitric acid is sourced from PubChem (CID 22014591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).