sodium cyanoboranuide

CH3BNNa — CID 5003444

IUPACsodium cyanoboranuide
SMILES[BH3-]C#N.[Na+]
InChIInChI=1S/CH3BN.Na/c2-1-3;/h2H3;/q-1;+1
InChIKeyCVDUGUOQTVTBJH-UHFFFAOYSA-N
MW62.84 g/mol
LogP-4.16
Rot. Bonds

About sodium cyanoboranuide

sodium cyanoboranuide (PubChem CID 5003444) has the molecular formula CH3BNNa and a molecular weight of 62.84 g/mol. Its IUPAC name is sodium cyanoboranuide.

Molecular Properties

Compound Namesodium cyanoboranuide
PubChem CID5003444
Molecular FormulaCH3BNNa
Molecular Weight62.84 g/mol
Exact Mass63.03
IUPAC Namesodium cyanoboranuide
SMILES[BH3-]C#N.[Na+]
InChIInChI=1S/CH3BN.Na/c2-1-3;/h2H3;/q-1;+1
InChIKeyCVDUGUOQTVTBJH-UHFFFAOYSA-N
XLogP-4.16
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50062.84
LogP ≤ 5-4.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium cyanoboranuide?
The IUPAC name of sodium cyanoboranuide (CID 5003444) is sodium cyanoboranuide.
What is the SMILES notation for sodium cyanoboranuide?
The canonical SMILES for sodium cyanoboranuide is [BH3-]C#N.[Na+].
What is the InChIKey of sodium cyanoboranuide?
The InChIKey is CVDUGUOQTVTBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3BN.Na/c2-1-3;/h2H3;/q-1;+1.
What are the key properties of sodium cyanoboranuide?
sodium cyanoboranuide has a molecular weight of 62.84 g/mol, XLogP of -4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium cyanoboranuide is sourced from PubChem (CID 5003444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).