(3,4-diaminophenyl)methanol;dihydrochloride

C7H12Cl2N2O — CID 24721578

IUPAC(3,4-diaminophenyl)methanol;dihydrochloride
SMILESCl.Cl.Nc1ccc(CO)cc1N
InChIInChI=1S/C7H10N2O.2ClH/c8-6-2-1-5(4-10)3-7(6)9;;/h1-3,10H,4,8-9H2;2*1H
InChIKeyFEEVEFUWQDGMKI-UHFFFAOYSA-N
MW211.09 g/mol
LogP1.19
Rot. Bonds1

About (3,4-diaminophenyl)methanol;dihydrochloride

(3,4-diaminophenyl)methanol;dihydrochloride (PubChem CID 24721578) has the molecular formula C7H12Cl2N2O and a molecular weight of 211.09 g/mol. Its IUPAC name is (3,4-diaminophenyl)methanol;dihydrochloride.

Molecular Properties

Compound Name(3,4-diaminophenyl)methanol;dihydrochloride
PubChem CID24721578
Molecular FormulaC7H12Cl2N2O
Molecular Weight211.09 g/mol
Exact Mass210.03
IUPAC Name(3,4-diaminophenyl)methanol;dihydrochloride
SMILESCl.Cl.Nc1ccc(CO)cc1N
InChIInChI=1S/C7H10N2O.2ClH/c8-6-2-1-5(4-10)3-7(6)9;;/h1-3,10H,4,8-9H2;2*1H
InChIKeyFEEVEFUWQDGMKI-UHFFFAOYSA-N
XLogP1.19
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,4-diaminophenyl)methanol;dihydrochloride?
The IUPAC name of (3,4-diaminophenyl)methanol;dihydrochloride (CID 24721578) is (3,4-diaminophenyl)methanol;dihydrochloride.
What is the SMILES notation for (3,4-diaminophenyl)methanol;dihydrochloride?
The canonical SMILES for (3,4-diaminophenyl)methanol;dihydrochloride is Cl.Cl.Nc1ccc(CO)cc1N.
What is the InChIKey of (3,4-diaminophenyl)methanol;dihydrochloride?
The InChIKey is FEEVEFUWQDGMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.2ClH/c8-6-2-1-5(4-10)3-7(6)9;;/h1-3,10H,4,8-9H2;2*1H.
What are the key properties of (3,4-diaminophenyl)methanol;dihydrochloride?
(3,4-diaminophenyl)methanol;dihydrochloride has a molecular weight of 211.09 g/mol, XLogP of 1.19, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diaminophenyl)methanol;dihydrochloride is sourced from PubChem (CID 24721578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).