diazanium;propan-2-olate;chloride

C3H15ClN2O — CID 141314970

IUPACdiazanium;propan-2-olate;chloride
SMILESCC(C)[O-].[Cl-].[NH4+].[NH4+]
InChIInChI=1S/C3H7O.ClH.2H3N/c1-3(2)4;;;/h3H,1-2H3;1H;2*1H3/q-1;;;/p+1
InChIKeySKQYZVYUCVVXGS-UHFFFAOYSA-O
MW130.62 g/mol
LogP-2.49
Rot. Bonds

About diazanium;propan-2-olate;chloride

diazanium;propan-2-olate;chloride (PubChem CID 141314970) has the molecular formula C3H15ClN2O and a molecular weight of 130.62 g/mol. Its IUPAC name is diazanium;propan-2-olate;chloride.

Molecular Properties

Compound Namediazanium;propan-2-olate;chloride
PubChem CID141314970
Molecular FormulaC3H15ClN2O
Molecular Weight130.62 g/mol
Exact Mass130.09
IUPAC Namediazanium;propan-2-olate;chloride
SMILESCC(C)[O-].[Cl-].[NH4+].[NH4+]
InChIInChI=1S/C3H7O.ClH.2H3N/c1-3(2)4;;;/h3H,1-2H3;1H;2*1H3/q-1;;;/p+1
InChIKeySKQYZVYUCVVXGS-UHFFFAOYSA-O
XLogP-2.49
TPSA96.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.62
LogP ≤ 5-2.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

erbium(3+);tris(propan-2-olate)
CID 2734042
pentakis(propan-2-olate);tungsten
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CID 162338231
hafnium(4+);bis(propan-2-olate)
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hafnium;bis(propan-2-olate)
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manganese(3+);tris(propan-2-olate)
CID 91971223
molybdenum;hexakis(propan-2-olate)
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pentakis(europium(3+));oxygen(2-);tridecakis(propan-2-olate)
CID 139133025
CID 173069963
CID 173069963
sodium;pentakis(propan-2-olate);titanium(4+)
CID 15772239
potassium;sodium;bis(propan-2-olate)
CID 141167841
propan-2-olate;titanium(4+);triiodide
CID 174248492

Frequently Asked Questions

What is the IUPAC name of diazanium;propan-2-olate;chloride?
The IUPAC name of diazanium;propan-2-olate;chloride (CID 141314970) is diazanium;propan-2-olate;chloride.
What is the SMILES notation for diazanium;propan-2-olate;chloride?
The canonical SMILES for diazanium;propan-2-olate;chloride is CC(C)[O-].[Cl-].[NH4+].[NH4+].
What is the InChIKey of diazanium;propan-2-olate;chloride?
The InChIKey is SKQYZVYUCVVXGS-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H7O.ClH.2H3N/c1-3(2)4;;;/h3H,1-2H3;1H;2*1H3/q-1;;;/p+1.
What are the key properties of diazanium;propan-2-olate;chloride?
diazanium;propan-2-olate;chloride has a molecular weight of 130.62 g/mol, XLogP of -2.49, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;propan-2-olate;chloride is sourced from PubChem (CID 141314970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).