sodium;cyanoboranuide;propan-2-ol

C4H11BNNaO — CID 174903937

IUPACsodium;cyanoboranuide;propan-2-ol
SMILESCC(C)O.[BH3-]C#N.[Na+]
InChIInChI=1S/C3H8O.CH3BN.Na/c1-3(2)4;2-1-3;/h3-4H,1-2H3;2H3;/q;-1;+1
InChIKeyKORRISOEPWZRRO-UHFFFAOYSA-N
MW122.94 g/mol
LogP-3.78
Rot. Bonds

About sodium;cyanoboranuide;propan-2-ol

sodium;cyanoboranuide;propan-2-ol (PubChem CID 174903937) has the molecular formula C4H11BNNaO and a molecular weight of 122.94 g/mol. Its IUPAC name is sodium;cyanoboranuide;propan-2-ol.

Molecular Properties

Compound Namesodium;cyanoboranuide;propan-2-ol
PubChem CID174903937
Molecular FormulaC4H11BNNaO
Molecular Weight122.94 g/mol
Exact Mass123.08
IUPAC Namesodium;cyanoboranuide;propan-2-ol
SMILESCC(C)O.[BH3-]C#N.[Na+]
InChIInChI=1S/C3H8O.CH3BN.Na/c1-3(2)4;2-1-3;/h3-4H,1-2H3;2H3;/q;-1;+1
InChIKeyKORRISOEPWZRRO-UHFFFAOYSA-N
XLogP-3.78
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.94
LogP ≤ 5-3.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

oxalonitrile;tetrakis(propan-2-ol)
CID 175130826
sodium cyanoboranuide
CID 5003444
tris(propan-2-ol);titanium;hydrate
CID 22645817
sodium;propan-2-ol;hydroxide
CID 87652802
propan-2-ol;dihydrate;trihydrochloride
CID 172856873
propan-2-ol;vanadium;hydrate;dihydrochloride
CID 171375749
disodium;acetonitrile;hydrogen phosphate;propan-2-ol
CID 174970061
CID 85354423
CID 85354423
tetrakis(propan-2-ol);samarium
CID 175326578
Indium(III) isopropoxide
CID 159258374
CID 131857540
CID 131857540
propan-2-ol;titanium
CID 25200171

Frequently Asked Questions

What is the IUPAC name of sodium;cyanoboranuide;propan-2-ol?
The IUPAC name of sodium;cyanoboranuide;propan-2-ol (CID 174903937) is sodium;cyanoboranuide;propan-2-ol.
What is the SMILES notation for sodium;cyanoboranuide;propan-2-ol?
The canonical SMILES for sodium;cyanoboranuide;propan-2-ol is CC(C)O.[BH3-]C#N.[Na+].
What is the InChIKey of sodium;cyanoboranuide;propan-2-ol?
The InChIKey is KORRISOEPWZRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.CH3BN.Na/c1-3(2)4;2-1-3;/h3-4H,1-2H3;2H3;/q;-1;+1.
What are the key properties of sodium;cyanoboranuide;propan-2-ol?
sodium;cyanoboranuide;propan-2-ol has a molecular weight of 122.94 g/mol, XLogP of -3.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;cyanoboranuide;propan-2-ol is sourced from PubChem (CID 174903937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).