benzene-1,2-diamine;butan-1-ol;dihydrochloride

C10H20Cl2N2O — CID 174374290

IUPACbenzene-1,2-diamine;butan-1-ol;dihydrochloride
SMILESCCCCO.Cl.Cl.Nc1ccccc1N
InChIInChI=1S/C6H8N2.C4H10O.2ClH/c7-5-3-1-2-4-6(5)8;1-2-3-4-5;;/h1-4H,7-8H2;5H,2-4H2,1H3;2*1H
InChIKeyKWSUPIOSTNAZGZ-UHFFFAOYSA-N
MW255.19 g/mol
LogP2.47
Rot. Bonds2

About benzene-1,2-diamine;butan-1-ol;dihydrochloride

benzene-1,2-diamine;butan-1-ol;dihydrochloride (PubChem CID 174374290) has the molecular formula C10H20Cl2N2O and a molecular weight of 255.19 g/mol. Its IUPAC name is benzene-1,2-diamine;butan-1-ol;dihydrochloride.

Molecular Properties

Compound Namebenzene-1,2-diamine;butan-1-ol;dihydrochloride
PubChem CID174374290
Molecular FormulaC10H20Cl2N2O
Molecular Weight255.19 g/mol
Exact Mass254.10
IUPAC Namebenzene-1,2-diamine;butan-1-ol;dihydrochloride
SMILESCCCCO.Cl.Cl.Nc1ccccc1N
InChIInChI=1S/C6H8N2.C4H10O.2ClH/c7-5-3-1-2-4-6(5)8;1-2-3-4-5;;/h1-4H,7-8H2;5H,2-4H2,1H3;2*1H
InChIKeyKWSUPIOSTNAZGZ-UHFFFAOYSA-N
XLogP2.47
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 174435241
butan-1-ol;phenol;titanium
CID 22238727
benzene-1,4-diamine;pentan-1-ol
CID 174707201
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CID 174932999
butan-1-ol;hafnium;hydrochloride
CID 174578142
benzene-1,2-diamine;hydrogen peroxide;hydrochloride
CID 175004407
(1,2,3,4-13C4)butan-1-ol
CID 71309697
butan-1-ol
CID 20532113
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2-amino-3-phenylpropan-1-ol;butan-1-ol
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Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diamine;butan-1-ol;dihydrochloride?
The IUPAC name of benzene-1,2-diamine;butan-1-ol;dihydrochloride (CID 174374290) is benzene-1,2-diamine;butan-1-ol;dihydrochloride.
What is the SMILES notation for benzene-1,2-diamine;butan-1-ol;dihydrochloride?
The canonical SMILES for benzene-1,2-diamine;butan-1-ol;dihydrochloride is CCCCO.Cl.Cl.Nc1ccccc1N.
What is the InChIKey of benzene-1,2-diamine;butan-1-ol;dihydrochloride?
The InChIKey is KWSUPIOSTNAZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.C4H10O.2ClH/c7-5-3-1-2-4-6(5)8;1-2-3-4-5;;/h1-4H,7-8H2;5H,2-4H2,1H3;2*1H.
What are the key properties of benzene-1,2-diamine;butan-1-ol;dihydrochloride?
benzene-1,2-diamine;butan-1-ol;dihydrochloride has a molecular weight of 255.19 g/mol, XLogP of 2.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diamine;butan-1-ol;dihydrochloride is sourced from PubChem (CID 174374290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).