3-nitropropan-1-amine;hydrochloride

C3H9ClN2O2 — CID 126844432

IUPAC3-nitropropan-1-amine;hydrochloride
SMILESCl.NCCC[N+](=O)[O-]
InChIInChI=1S/C3H8N2O2.ClH/c4-2-1-3-5(6)7;/h1-4H2;1H
InChIKeyNQTWZKQZDKWUBT-UHFFFAOYSA-N
MW140.57 g/mol
LogP0.03
Rot. Bonds3

About 3-nitropropan-1-amine;hydrochloride

3-nitropropan-1-amine;hydrochloride (PubChem CID 126844432) has the molecular formula C3H9ClN2O2 and a molecular weight of 140.57 g/mol. Its IUPAC name is 3-nitropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-nitropropan-1-amine;hydrochloride
PubChem CID126844432
Molecular FormulaC3H9ClN2O2
Molecular Weight140.57 g/mol
Exact Mass140.04
IUPAC Name3-nitropropan-1-amine;hydrochloride
SMILESCl.NCCC[N+](=O)[O-]
InChIInChI=1S/C3H8N2O2.ClH/c4-2-1-3-5(6)7;/h1-4H2;1H
InChIKeyNQTWZKQZDKWUBT-UHFFFAOYSA-N
XLogP0.03
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.57
LogP ≤ 50.03
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 3-nitropropan-1-amine;hydrochloride?
The IUPAC name of 3-nitropropan-1-amine;hydrochloride (CID 126844432) is 3-nitropropan-1-amine;hydrochloride.
What is the SMILES notation for 3-nitropropan-1-amine;hydrochloride?
The canonical SMILES for 3-nitropropan-1-amine;hydrochloride is Cl.NCCC[N+](=O)[O-].
What is the InChIKey of 3-nitropropan-1-amine;hydrochloride?
The InChIKey is NQTWZKQZDKWUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O2.ClH/c4-2-1-3-5(6)7;/h1-4H2;1H.
What are the key properties of 3-nitropropan-1-amine;hydrochloride?
3-nitropropan-1-amine;hydrochloride has a molecular weight of 140.57 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitropropan-1-amine;hydrochloride is sourced from PubChem (CID 126844432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).