sodium;boric acid;phenylmethanamine

C7H11BNNaO3 — CID 174791670

IUPACsodium;boric acid;phenylmethanamine
SMILESNCc1cc[c-]cc1.OB(O)O.[Na+]
InChIInChI=1S/C7H8N.BH3O3.Na/c8-6-7-4-2-1-3-5-7;2-1(3)4;/h2-5H,6,8H2;2-4H;/q-1;;+1
InChIKeyGTMYTFHPDGCBTP-UHFFFAOYSA-N
MW190.97 g/mol
LogP-4.10
Rot. Bonds1

About sodium;boric acid;phenylmethanamine

sodium;boric acid;phenylmethanamine (PubChem CID 174791670) has the molecular formula C7H11BNNaO3 and a molecular weight of 190.97 g/mol. Its IUPAC name is sodium;boric acid;phenylmethanamine.

Molecular Properties

Compound Namesodium;boric acid;phenylmethanamine
PubChem CID174791670
Molecular FormulaC7H11BNNaO3
Molecular Weight190.97 g/mol
Exact Mass191.07
IUPAC Namesodium;boric acid;phenylmethanamine
SMILESNCc1cc[c-]cc1.OB(O)O.[Na+]
InChIInChI=1S/C7H8N.BH3O3.Na/c8-6-7-4-2-1-3-5-7;2-1(3)4;/h2-5H,6,8H2;2-4H;/q-1;;+1
InChIKeyGTMYTFHPDGCBTP-UHFFFAOYSA-N
XLogP-4.10
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.97
LogP ≤ 5-4.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenylmethanamine;propanoic acid;zinc
CID 174660355
[3-(aminomethyl)phenyl]methanamine;boric acid
CID 175765748
sodium phenylmethanamine
CID 172793696
potassium;boric acid;methylbenzene
CID 159556662
sodium [3-(aminomethyl)benzene-4-id-1-yl]methanamine
CID 172713558
4-(aminomethyl)phenol;ethane;tungsten;hydrate
CID 169128634
phenylmethanamine
CID 19864074
(4-phosphanylphenyl)methanamine;hydrate
CID 174933242
propan-1-amine;pyridin-4-ylmethanamine
CID 157420775
CID 59129926
CID 59129926
phenylmethanamine;trihydrobromide
CID 175177372
[4-(aminomethyl)phenyl]methanamine;tetrachlorostannane
CID 175880044

Frequently Asked Questions

What is the IUPAC name of sodium;boric acid;phenylmethanamine?
The IUPAC name of sodium;boric acid;phenylmethanamine (CID 174791670) is sodium;boric acid;phenylmethanamine.
What is the SMILES notation for sodium;boric acid;phenylmethanamine?
The canonical SMILES for sodium;boric acid;phenylmethanamine is NCc1cc[c-]cc1.OB(O)O.[Na+].
What is the InChIKey of sodium;boric acid;phenylmethanamine?
The InChIKey is GTMYTFHPDGCBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N.BH3O3.Na/c8-6-7-4-2-1-3-5-7;2-1(3)4;/h2-5H,6,8H2;2-4H;/q-1;;+1.
What are the key properties of sodium;boric acid;phenylmethanamine?
sodium;boric acid;phenylmethanamine has a molecular weight of 190.97 g/mol, XLogP of -4.10, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;boric acid;phenylmethanamine is sourced from PubChem (CID 174791670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).