Benzylammonium chloride

C7H10ClN — CID 2724127

IUPACphenylmethanamine;hydrochloride
SMILESC1=CC=C(C=C1)CN.Cl
InChIInChI=1S/C7H9N.ClH/c8-6-7-4-2-1-3-5-7;/h1-5H,6,8H2;1H
InChIKeyXKXHCNPAFAXVRZ-UHFFFAOYSA-N
MW143.61 g/mol
LogP—
Rot. Bonds1

About Benzylammonium chloride

Benzylammonium chloride (PubChem CID 2724127) has the molecular formula C7H10ClN and a molecular weight of 143.61 g/mol. Its IUPAC name is phenylmethanamine;hydrochloride.

Molecular Properties

Compound NameBenzylammonium chloride
PubChem CID2724127
Molecular FormulaC7H10ClN
Molecular Weight143.61 g/mol
Exact Mass143.05
IUPAC Namephenylmethanamine;hydrochloride
SMILESC1=CC=C(C=C1)CN.Cl
InChIInChI=1S/C7H9N.ClH/c8-6-7-4-2-1-3-5-7;/h1-5H,6,8H2;1H
InChIKeyXKXHCNPAFAXVRZ-UHFFFAOYSA-N
XLogP—
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity55

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of Benzylammonium chloride?
The IUPAC name of Benzylammonium chloride (CID 2724127) is phenylmethanamine;hydrochloride.
What is the SMILES notation for Benzylammonium chloride?
The canonical SMILES for Benzylammonium chloride is C1=CC=C(C=C1)CN.Cl.
What is the InChIKey of Benzylammonium chloride?
The InChIKey is XKXHCNPAFAXVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.ClH/c8-6-7-4-2-1-3-5-7;/h1-5H,6,8H2;1H.
What are the key properties of Benzylammonium chloride?
Benzylammonium chloride has a molecular weight of 143.61 g/mol, XLogP of not available, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Benzylammonium chloride is sourced from PubChem (CID 2724127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).