nitric acid;propan-1-amine

C3H10N2O3 — CID 10197675

IUPACnitric acid;propan-1-amine
SMILESCCCN.O=[N+]([O-])O
InChIInChI=1S/C3H9N.HNO3/c1-2-3-4;2-1(3)4/h2-4H2,1H3;(H,2,3,4)
InChIKeyFZQFNTYKHHDUFT-UHFFFAOYSA-N
MW122.12 g/mol
LogP0.01
Rot. Bonds1

About nitric acid;propan-1-amine

nitric acid;propan-1-amine (PubChem CID 10197675) has the molecular formula C3H10N2O3 and a molecular weight of 122.12 g/mol. Its IUPAC name is nitric acid;propan-1-amine.

Molecular Properties

Compound Namenitric acid;propan-1-amine
PubChem CID10197675
Molecular FormulaC3H10N2O3
Molecular Weight122.12 g/mol
Exact Mass122.07
IUPAC Namenitric acid;propan-1-amine
SMILESCCCN.O=[N+]([O-])O
InChIInChI=1S/C3H9N.HNO3/c1-2-3-4;2-1(3)4/h2-4H2,1H3;(H,2,3,4)
InChIKeyFZQFNTYKHHDUFT-UHFFFAOYSA-N
XLogP0.01
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.12
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Ethylammonium nitrate
CID 193581
Isopropylammonium nitrate
CID 55716
Ethylazanium;nitrate
CID 6432248
Nitric acid--ethane-1,2-diamine (1/1)
CID 12200828
Propylazanium nitrate
CID 19596857
Butylammonium nitrate
CID 87853465
Propylamine nitrite
CID 62174
1-Butanamine, nitrate
CID 9812788
Nitric acid;propan-2-amine
CID 12203882
Nitric acid--2-methylpropan-1-amine (1/1)
CID 71390480
Propyl-1,3-diammonium dinitrate
CID 129880664
Propan-2-ylazanium nitrite
CID 20141352

Frequently Asked Questions

What is the IUPAC name of nitric acid;propan-1-amine?
The IUPAC name of nitric acid;propan-1-amine (CID 10197675) is nitric acid;propan-1-amine.
What is the SMILES notation for nitric acid;propan-1-amine?
The canonical SMILES for nitric acid;propan-1-amine is CCCN.O=[N+]([O-])O.
What is the InChIKey of nitric acid;propan-1-amine?
The InChIKey is FZQFNTYKHHDUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.HNO3/c1-2-3-4;2-1(3)4/h2-4H2,1H3;(H,2,3,4).
What are the key properties of nitric acid;propan-1-amine?
nitric acid;propan-1-amine has a molecular weight of 122.12 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nitric acid;propan-1-amine is sourced from PubChem (CID 10197675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).