bromomethanamine;hydrochloride

CH5BrClN — CID 141040289

IUPACbromomethanamine;hydrochloride
SMILESCl.NCBr
InChIInChI=1S/CH4BrN.ClH/c2-1-3;/h1,3H2;1H
InChIKeyPSSJGQUOVCSANF-UHFFFAOYSA-N
MW146.41 g/mol
LogP0.72
Rot. Bonds

About bromomethanamine;hydrochloride

bromomethanamine;hydrochloride (PubChem CID 141040289) has the molecular formula CH5BrClN and a molecular weight of 146.41 g/mol. Its IUPAC name is bromomethanamine;hydrochloride.

Molecular Properties

Compound Namebromomethanamine;hydrochloride
PubChem CID141040289
Molecular FormulaCH5BrClN
Molecular Weight146.41 g/mol
Exact Mass144.93
IUPAC Namebromomethanamine;hydrochloride
SMILESCl.NCBr
InChIInChI=1S/CH4BrN.ClH/c2-1-3;/h1,3H2;1H
InChIKeyPSSJGQUOVCSANF-UHFFFAOYSA-N
XLogP0.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.41
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bromomethanamine;hydrochloride?
The IUPAC name of bromomethanamine;hydrochloride (CID 141040289) is bromomethanamine;hydrochloride.
What is the SMILES notation for bromomethanamine;hydrochloride?
The canonical SMILES for bromomethanamine;hydrochloride is Cl.NCBr.
What is the InChIKey of bromomethanamine;hydrochloride?
The InChIKey is PSSJGQUOVCSANF-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4BrN.ClH/c2-1-3;/h1,3H2;1H.
What are the key properties of bromomethanamine;hydrochloride?
bromomethanamine;hydrochloride has a molecular weight of 146.41 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethanamine;hydrochloride is sourced from PubChem (CID 141040289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).