(2R,3R)-butane-2,3-diamine;dihydrochloride

C4H14Cl2N2 — CID 90474575

IUPAC(2R,3R)-butane-2,3-diamine;dihydrochloride
SMILESC[C@@H](N)[C@@H](C)N.Cl.Cl
InChIInChI=1S/C4H12N2.2ClH/c1-3(5)4(2)6;;/h3-4H,5-6H2,1-2H3;2*1H/t3-,4-;;/m1../s1
InChIKeyUEGFKFNFTYLWMM-XWJKVJTJSA-N
MW161.08 g/mol
LogP0.52
Rot. Bonds1

About (2R,3R)-butane-2,3-diamine;dihydrochloride

(2R,3R)-butane-2,3-diamine;dihydrochloride (PubChem CID 90474575) has the molecular formula C4H14Cl2N2 and a molecular weight of 161.08 g/mol. Its IUPAC name is (2R,3R)-butane-2,3-diamine;dihydrochloride.

Molecular Properties

Compound Name(2R,3R)-butane-2,3-diamine;dihydrochloride
PubChem CID90474575
Molecular FormulaC4H14Cl2N2
Molecular Weight161.08 g/mol
Exact Mass160.05
IUPAC Name(2R,3R)-butane-2,3-diamine;dihydrochloride
SMILESC[C@@H](N)[C@@H](C)N.Cl.Cl
InChIInChI=1S/C4H12N2.2ClH/c1-3(5)4(2)6;;/h3-4H,5-6H2,1-2H3;2*1H/t3-,4-;;/m1../s1
InChIKeyUEGFKFNFTYLWMM-XWJKVJTJSA-N
XLogP0.52
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.08
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-butane-2,3-diamine;dihydrochloride?
The IUPAC name of (2R,3R)-butane-2,3-diamine;dihydrochloride (CID 90474575) is (2R,3R)-butane-2,3-diamine;dihydrochloride.
What is the SMILES notation for (2R,3R)-butane-2,3-diamine;dihydrochloride?
The canonical SMILES for (2R,3R)-butane-2,3-diamine;dihydrochloride is C[C@@H](N)[C@@H](C)N.Cl.Cl.
What is the InChIKey of (2R,3R)-butane-2,3-diamine;dihydrochloride?
The InChIKey is UEGFKFNFTYLWMM-XWJKVJTJSA-N. The full InChI is InChI=1S/C4H12N2.2ClH/c1-3(5)4(2)6;;/h3-4H,5-6H2,1-2H3;2*1H/t3-,4-;;/m1../s1.
What are the key properties of (2R,3R)-butane-2,3-diamine;dihydrochloride?
(2R,3R)-butane-2,3-diamine;dihydrochloride has a molecular weight of 161.08 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-butane-2,3-diamine;dihydrochloride is sourced from PubChem (CID 90474575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).