2-aminoethanol;2-nitrooxyethylazanium;nitrate

C4H14N4O7 — CID 160840712

IUPAC2-aminoethanol;2-nitrooxyethylazanium;nitrate
SMILESNCCO.O=[N+]([O-])[O-].[NH3+]CCO[N+](=O)[O-]
InChIInChI=1S/C2H6N2O3.C2H7NO.NO3/c3-1-2-7-4(5)6;3-1-2-4;2-1(3)4/h1-3H2;4H,1-3H2;/q;;-1/p+1
InChIKeySHZJMMJNSYLARA-UHFFFAOYSA-O
MW230.18 g/mol
LogP-2.87
Rot. Bonds4

About 2-aminoethanol;2-nitrooxyethylazanium;nitrate

2-aminoethanol;2-nitrooxyethylazanium;nitrate (PubChem CID 160840712) has the molecular formula C4H14N4O7 and a molecular weight of 230.18 g/mol. Its IUPAC name is 2-aminoethanol;2-nitrooxyethylazanium;nitrate.

Molecular Properties

Compound Name2-aminoethanol;2-nitrooxyethylazanium;nitrate
PubChem CID160840712
Molecular FormulaC4H14N4O7
Molecular Weight230.18 g/mol
Exact Mass230.09
IUPAC Name2-aminoethanol;2-nitrooxyethylazanium;nitrate
SMILESNCCO.O=[N+]([O-])[O-].[NH3+]CCO[N+](=O)[O-]
InChIInChI=1S/C2H6N2O3.C2H7NO.NO3/c3-1-2-7-4(5)6;3-1-2-4;2-1(3)4/h1-3H2;4H,1-3H2;/q;;-1/p+1
InChIKeySHZJMMJNSYLARA-UHFFFAOYSA-O
XLogP-2.87
TPSA192.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 5-2.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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 2-aminoethanol;2-nitrooxyethylazanium;nitrate?
The IUPAC name of 2-aminoethanol;2-nitrooxyethylazanium;nitrate (CID 160840712) is 2-aminoethanol;2-nitrooxyethylazanium;nitrate.
What is the SMILES notation for 2-aminoethanol;2-nitrooxyethylazanium;nitrate?
The canonical SMILES for 2-aminoethanol;2-nitrooxyethylazanium;nitrate is NCCO.O=[N+]([O-])[O-].[NH3+]CCO[N+](=O)[O-].
What is the InChIKey of 2-aminoethanol;2-nitrooxyethylazanium;nitrate?
The InChIKey is SHZJMMJNSYLARA-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H6N2O3.C2H7NO.NO3/c3-1-2-7-4(5)6;3-1-2-4;2-1(3)4/h1-3H2;4H,1-3H2;/q;;-1/p+1.
What are the key properties of 2-aminoethanol;2-nitrooxyethylazanium;nitrate?
2-aminoethanol;2-nitrooxyethylazanium;nitrate has a molecular weight of 230.18 g/mol, XLogP of -2.87, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2-nitrooxyethylazanium;nitrate is sourced from PubChem (CID 160840712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).