disodium;1,2-diaminoethanol;hydride

C2H10N2Na2O — CID 175201156

IUPACdisodium;1,2-diaminoethanol;hydride
SMILESNCC(N)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C2H8N2O.2Na.2H/c3-1-2(4)5;;;;/h2,5H,1,3-4H2;;;;/q;2*+1;2*-1
InChIKeyBBWMJMAVLCXKFJ-UHFFFAOYSA-N
MW124.09 g/mol
LogP-7.54
Rot. Bonds1

About disodium;1,2-diaminoethanol;hydride

disodium;1,2-diaminoethanol;hydride (PubChem CID 175201156) has the molecular formula C2H10N2Na2O and a molecular weight of 124.09 g/mol. Its IUPAC name is disodium;1,2-diaminoethanol;hydride.

Molecular Properties

Compound Namedisodium;1,2-diaminoethanol;hydride
PubChem CID175201156
Molecular FormulaC2H10N2Na2O
Molecular Weight124.09 g/mol
Exact Mass124.06
IUPAC Namedisodium;1,2-diaminoethanol;hydride
SMILESNCC(N)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C2H8N2O.2Na.2H/c3-1-2(4)5;;;;/h2,5H,1,3-4H2;;;;/q;2*+1;2*-1
InChIKeyBBWMJMAVLCXKFJ-UHFFFAOYSA-N
XLogP-7.54
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.09
LogP ≤ 5-7.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S)-1,4,5-triaminopentan-1-ol
CID 88903954
1,3-diaminopropan-1-ol
CID 10419133
(1R)-1-aminoethane-1,2-diol
CID 140649256
(2S)-propane-1,2-diamine
CID 642322
1,6-diaminohexan-1-ol
CID 57008257
1,3,4,5,6-pentaaminohexan-2-ol
CID 57100316
ethanol;propane-1,2-diamine
CID 161334035
disodium;3,4-diaminobutane-2,2-diol;hydride
CID 173241441
sodium;2-amino-1-hydroxyethanesulfonic acid;hydride
CID 175556811
palladium;propane-1,2-diamine
CID 87255476
CID 175729762
CID 175729762
1-amino-2-silylethanol
CID 173493084

Frequently Asked Questions

What is the IUPAC name of disodium;1,2-diaminoethanol;hydride?
The IUPAC name of disodium;1,2-diaminoethanol;hydride (CID 175201156) is disodium;1,2-diaminoethanol;hydride.
What is the SMILES notation for disodium;1,2-diaminoethanol;hydride?
The canonical SMILES for disodium;1,2-diaminoethanol;hydride is NCC(N)O.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;1,2-diaminoethanol;hydride?
The InChIKey is BBWMJMAVLCXKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2O.2Na.2H/c3-1-2(4)5;;;;/h2,5H,1,3-4H2;;;;/q;2*+1;2*-1.
What are the key properties of disodium;1,2-diaminoethanol;hydride?
disodium;1,2-diaminoethanol;hydride has a molecular weight of 124.09 g/mol, XLogP of -7.54, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;1,2-diaminoethanol;hydride is sourced from PubChem (CID 175201156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).