4-(hydroxymethyl)benzenecarboximidamide;hydrochloride

C8H11ClN2O — CID 15597453

IUPAC4-(hydroxymethyl)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(CO)cc1
InChIInChI=1S/C8H10N2O.ClH/c9-8(10)7-3-1-6(5-11)2-4-7;/h1-4,11H,5H2,(H3,9,10);1H
InChIKeyWLQCXPPTPDCQRU-UHFFFAOYSA-N
MW186.64 g/mol
LogP0.88
Rot. Bonds2

About 4-(hydroxymethyl)benzenecarboximidamide;hydrochloride

4-(hydroxymethyl)benzenecarboximidamide;hydrochloride (PubChem CID 15597453) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 4-(hydroxymethyl)benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-(hydroxymethyl)benzenecarboximidamide;hydrochloride
PubChem CID15597453
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name4-(hydroxymethyl)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(CO)cc1
InChIInChI=1S/C8H10N2O.ClH/c9-8(10)7-3-1-6(5-11)2-4-7;/h1-4,11H,5H2,(H3,9,10);1H
InChIKeyWLQCXPPTPDCQRU-UHFFFAOYSA-N
XLogP0.88
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-ethylbenzenecarboximidamide;hydrochloride
CID 15564107
4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride
CID 70294234
4-prop-2-enylbenzenecarboximidamide
CID 67813760
4-[3-(4-carbamimidoylphenyl)-2-oxopropyl]benzenecarboximidamide
CID 153102323
4-(3-hydroxypropylsulfanylmethyl)benzenecarboximidamide
CID 66113210
4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107709008
4-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
CID 82240742
4-decylbenzenecarboximidamide;hydrochloride
CID 18941670
4-[2-(4-carbamimidoylanilino)ethylamino]benzenecarboximidamide;dihydrochloride
CID 46837859
4-(3-methylbutyl)benzenecarboximidamide
CID 137472926
4-[[4-[(4-carbamimidoylphenoxy)methyl]phenyl]methoxy]benzenecarboximidamide;methane
CID 161112303
4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)benzenecarboximidamide;hydrochloride?
The IUPAC name of 4-(hydroxymethyl)benzenecarboximidamide;hydrochloride (CID 15597453) is 4-(hydroxymethyl)benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-(hydroxymethyl)benzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-(hydroxymethyl)benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(CO)cc1.
What is the InChIKey of 4-(hydroxymethyl)benzenecarboximidamide;hydrochloride?
The InChIKey is WLQCXPPTPDCQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.ClH/c9-8(10)7-3-1-6(5-11)2-4-7;/h1-4,11H,5H2,(H3,9,10);1H.
What are the key properties of 4-(hydroxymethyl)benzenecarboximidamide;hydrochloride?
4-(hydroxymethyl)benzenecarboximidamide;hydrochloride has a molecular weight of 186.64 g/mol, XLogP of 0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 15597453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).