4-(aminomethyl)benzaldehyde;hydrochloride

C8H10ClNO — CID 119031673

IUPAC4-(aminomethyl)benzaldehyde;hydrochloride
SMILESCl.NCc1ccc(C=O)cc1
InChIInChI=1S/C8H9NO.ClH/c9-5-7-1-3-8(6-10)4-2-7;/h1-4,6H,5,9H2;1H
InChIKeyHKRVTTAGPORXSX-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.38
Rot. Bonds2

About 4-(aminomethyl)benzaldehyde;hydrochloride

4-(aminomethyl)benzaldehyde;hydrochloride (PubChem CID 119031673) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 4-(aminomethyl)benzaldehyde;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)benzaldehyde;hydrochloride
PubChem CID119031673
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name4-(aminomethyl)benzaldehyde;hydrochloride
SMILESCl.NCc1ccc(C=O)cc1
InChIInChI=1S/C8H9NO.ClH/c9-5-7-1-3-8(6-10)4-2-7;/h1-4,6H,5,9H2;1H
InChIKeyHKRVTTAGPORXSX-UHFFFAOYSA-N
XLogP1.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)benzaldehyde;hydrochloride?
The IUPAC name of 4-(aminomethyl)benzaldehyde;hydrochloride (CID 119031673) is 4-(aminomethyl)benzaldehyde;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)benzaldehyde;hydrochloride?
The canonical SMILES for 4-(aminomethyl)benzaldehyde;hydrochloride is Cl.NCc1ccc(C=O)cc1.
What is the InChIKey of 4-(aminomethyl)benzaldehyde;hydrochloride?
The InChIKey is HKRVTTAGPORXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.ClH/c9-5-7-1-3-8(6-10)4-2-7;/h1-4,6H,5,9H2;1H.
What are the key properties of 4-(aminomethyl)benzaldehyde;hydrochloride?
4-(aminomethyl)benzaldehyde;hydrochloride has a molecular weight of 171.63 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)benzaldehyde;hydrochloride is sourced from PubChem (CID 119031673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).