butan-2-amine;nitrous acid

C4H12N2O2 — CID 87072377

IUPACbutan-2-amine;nitrous acid
SMILESCCC(C)N.O=NO
InChIInChI=1S/C4H11N.HNO2/c1-3-4(2)5;2-1-3/h4H,3,5H2,1-2H3;(H,2,3)
InChIKeyZQYKRFKHWLFLFA-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.89
Rot. Bonds1

About butan-2-amine;nitrous acid

butan-2-amine;nitrous acid (PubChem CID 87072377) has the molecular formula C4H12N2O2 and a molecular weight of 120.15 g/mol. Its IUPAC name is butan-2-amine;nitrous acid.

Molecular Properties

Compound Namebutan-2-amine;nitrous acid
PubChem CID87072377
Molecular FormulaC4H12N2O2
Molecular Weight120.15 g/mol
Exact Mass120.09
IUPAC Namebutan-2-amine;nitrous acid
SMILESCCC(C)N.O=NO
InChIInChI=1S/C4H11N.HNO2/c1-3-4(2)5;2-1-3/h4H,3,5H2,1-2H3;(H,2,3)
InChIKeyZQYKRFKHWLFLFA-UHFFFAOYSA-N
XLogP0.89
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethylammonium nitrate
CID 193581
Isopropylammonium nitrate
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Propylazanium nitrate
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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
Propan-2-ylazanium nitrite
CID 20141352
Silver;propan-2-amine;nitrate
CID 20330014
Hydroxy(propan-2-yl)azanium nitrate
CID 22114448

Frequently Asked Questions

What is the IUPAC name of butan-2-amine;nitrous acid?
The IUPAC name of butan-2-amine;nitrous acid (CID 87072377) is butan-2-amine;nitrous acid.
What is the SMILES notation for butan-2-amine;nitrous acid?
The canonical SMILES for butan-2-amine;nitrous acid is CCC(C)N.O=NO.
What is the InChIKey of butan-2-amine;nitrous acid?
The InChIKey is ZQYKRFKHWLFLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.HNO2/c1-3-4(2)5;2-1-3/h4H,3,5H2,1-2H3;(H,2,3).
What are the key properties of butan-2-amine;nitrous acid?
butan-2-amine;nitrous acid has a molecular weight of 120.15 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-amine;nitrous acid is sourced from PubChem (CID 87072377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).