2-benzylguanidine;hydrochloride

C8H12ClN3 — CID 11240874

IUPAC2-benzylguanidine;hydrochloride
SMILESCl.NC(N)=NCc1ccccc1
InChIInChI=1S/C8H11N3.ClH/c9-8(10)11-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H4,9,10,11);1H
InChIKeySGNLZDSZLBOVGT-UHFFFAOYSA-N
MW185.66 g/mol
LogP0.88
Rot. Bonds2

About 2-benzylguanidine;hydrochloride

2-benzylguanidine;hydrochloride (PubChem CID 11240874) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 2-benzylguanidine;hydrochloride.

Molecular Properties

Compound Name2-benzylguanidine;hydrochloride
PubChem CID11240874
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name2-benzylguanidine;hydrochloride
SMILESCl.NC(N)=NCc1ccccc1
InChIInChI=1S/C8H11N3.ClH/c9-8(10)11-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H4,9,10,11);1H
InChIKeySGNLZDSZLBOVGT-UHFFFAOYSA-N
XLogP0.88
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-benzylguanidine;hydrochloride?
The IUPAC name of 2-benzylguanidine;hydrochloride (CID 11240874) is 2-benzylguanidine;hydrochloride.
What is the SMILES notation for 2-benzylguanidine;hydrochloride?
The canonical SMILES for 2-benzylguanidine;hydrochloride is Cl.NC(N)=NCc1ccccc1.
What is the InChIKey of 2-benzylguanidine;hydrochloride?
The InChIKey is SGNLZDSZLBOVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3.ClH/c9-8(10)11-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H4,9,10,11);1H.
What are the key properties of 2-benzylguanidine;hydrochloride?
2-benzylguanidine;hydrochloride has a molecular weight of 185.66 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylguanidine;hydrochloride is sourced from PubChem (CID 11240874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).