Borohydride
Athanor · official
BH4- · 14.85 g/mol
IUPAC name: boranuide
Also called tetrahydroborate, NaBH4 anion
Names and identifiers
- IUPAC name
- boranuide
- Synonyms
- tetrahydroborate, NaBH4 anion, boranuide
+ 12 more
tetrahydroborate(1-), tetrahydridoborate(1-), tetrahydridoborate(III) ion, CHEBI:30157, BH4(-), [BH4](-), (BH4)(-), RefChem:121030, SCHEMBL114762, DTXSID60422587, CROBTXVXNQNKKO-UHFFFAOYSA-N, Q2306480
- Molecular formula
- BH4-
- Empirical formula
- BH4
- Molecular weight
- 14.85 g/mol
- Exact mass
- 15.04061
- CAS number
- 16971-29-2
- PubChem CID
- 28123
- Canonical SMILES
- [BH4-]
- Isomeric SMILES
- [BH4-]
- InChI
- InChI=1S/BH4/h1H4/q-1
- InChIKey
- CROBTXVXNQNKKO-UHFFFAOYSA-N
- Molfile
Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.
Calculated
- Heavy atoms
- 1
- Rings
- 0
- Aromatic rings
- 0
- Fraction sp³ carbons (Fsp3)
- 0
- H-bond donors
- 0
- H-bond acceptors
- 0 computed here · PubChem 1
- Rotatable bonds
- 0
- TPSA (Ų)
- 0
- Formal charge
- -1
- Complexity
- 0 PubChem
- Stereocenters
- None
- Double-bond geometry
- None specified
- Point group
- Td of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)
Elemental analysis
- H27.16%
- B72.84%
Isotope pattern
Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.
Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.
Predicted
- log P
- -1.45 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- 0.98 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 8.48 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)
Drug-likeness: Lipinski’s rule of five
- Molecular weight ≤ 500: 14.84
- log P ≤ 5 (Crippen): -1.45
- H-bond donors ≤ 5: 0
- H-bond acceptors ≤ 10: 0
Passes all four rules.
Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.
Safety
No GHS hazard classification was found in the sources.
Safety data sheets on the supplier’s page: Mcule, J&H Chemical Co.,ltd, Alfa Chemistry.
Always read the supplier’s safety data sheet before working with it.
Literature
Reading PubChem, OpenAlex and GSRS…
Bioactivity
Reading ChEMBL…
References
- ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
- ·Literature on PubChem
Data last updated 2026-10-14.