2,3-diaminopropan-1-ol;dihydrochloride

C3H12Cl2N2O — CID 12985260

IUPAC2,3-diaminopropan-1-ol;dihydrochloride
SMILESCl.Cl.NCC(N)CO
InChIInChI=1S/C3H10N2O.2ClH/c4-1-3(5)2-6;;/h3,6H,1-2,4-5H2;2*1H
InChIKeyIKBUWJHUBADHSZ-UHFFFAOYSA-N
MW163.05 g/mol
LogP-0.89
Rot. Bonds2

About 2,3-diaminopropan-1-ol;dihydrochloride

2,3-diaminopropan-1-ol;dihydrochloride (PubChem CID 12985260) has the molecular formula C3H12Cl2N2O and a molecular weight of 163.05 g/mol. Its IUPAC name is 2,3-diaminopropan-1-ol;dihydrochloride.

Molecular Properties

Compound Name2,3-diaminopropan-1-ol;dihydrochloride
PubChem CID12985260
Molecular FormulaC3H12Cl2N2O
Molecular Weight163.05 g/mol
Exact Mass162.03
IUPAC Name2,3-diaminopropan-1-ol;dihydrochloride
SMILESCl.Cl.NCC(N)CO
InChIInChI=1S/C3H10N2O.2ClH/c4-1-3(5)2-6;;/h3,6H,1-2,4-5H2;2*1H
InChIKeyIKBUWJHUBADHSZ-UHFFFAOYSA-N
XLogP-0.89
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.05
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-diaminopropan-1-ol;dihydrochloride?
The IUPAC name of 2,3-diaminopropan-1-ol;dihydrochloride (CID 12985260) is 2,3-diaminopropan-1-ol;dihydrochloride.
What is the SMILES notation for 2,3-diaminopropan-1-ol;dihydrochloride?
The canonical SMILES for 2,3-diaminopropan-1-ol;dihydrochloride is Cl.Cl.NCC(N)CO.
What is the InChIKey of 2,3-diaminopropan-1-ol;dihydrochloride?
The InChIKey is IKBUWJHUBADHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2O.2ClH/c4-1-3(5)2-6;;/h3,6H,1-2,4-5H2;2*1H.
What are the key properties of 2,3-diaminopropan-1-ol;dihydrochloride?
2,3-diaminopropan-1-ol;dihydrochloride has a molecular weight of 163.05 g/mol, XLogP of -0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diaminopropan-1-ol;dihydrochloride is sourced from PubChem (CID 12985260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).