2-bromoethanamine;hypobromous acid

C2H7Br2NO — CID 159414282

IUPAC2-bromoethanamine;hypobromous acid
SMILESNCCBr.OBr
InChIInChI=1S/C2H6BrN.BrHO/c3-1-2-4;1-2/h1-2,4H2;2H
InChIKeyLOYTXPGJDOSBQK-UHFFFAOYSA-N
MW220.89 g/mol
LogP0.63
Rot. Bonds1

About 2-bromoethanamine;hypobromous acid

2-bromoethanamine;hypobromous acid (PubChem CID 159414282) has the molecular formula C2H7Br2NO and a molecular weight of 220.89 g/mol. Its IUPAC name is 2-bromoethanamine;hypobromous acid.

Molecular Properties

Compound Name2-bromoethanamine;hypobromous acid
PubChem CID159414282
Molecular FormulaC2H7Br2NO
Molecular Weight220.89 g/mol
Exact Mass218.89
IUPAC Name2-bromoethanamine;hypobromous acid
SMILESNCCBr.OBr
InChIInChI=1S/C2H6BrN.BrHO/c3-1-2-4;1-2/h1-2,4H2;2H
InChIKeyLOYTXPGJDOSBQK-UHFFFAOYSA-N
XLogP0.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.89
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromoethanamine;hydrobromide
CID 2774217
3-bromopropan-1-amine;hydron
CID 174641241
3-bromopropan-1-amine;hydrochloride
CID 12860765
6-bromohexan-1-amine
CID 3650626
tris(3-bromopropan-1-amine);phosphoric acid
CID 174914659
2-aminoethanol;ethane
CID 90703907
bromomethanamine;hydron
CID 174955296
bromomethanamine;hydrochloride
CID 141040289
N'-(2-bromoethyl)ethane-1,2-diamine
CID 11788500
1,2-dibromoethane
CID 7839
hydrazine;hypobromous acid
CID 160669433
2-bromoethyl 3-aminopropanoate
CID 15703163

Frequently Asked Questions

What is the IUPAC name of 2-bromoethanamine;hypobromous acid?
The IUPAC name of 2-bromoethanamine;hypobromous acid (CID 159414282) is 2-bromoethanamine;hypobromous acid.
What is the SMILES notation for 2-bromoethanamine;hypobromous acid?
The canonical SMILES for 2-bromoethanamine;hypobromous acid is NCCBr.OBr.
What is the InChIKey of 2-bromoethanamine;hypobromous acid?
The InChIKey is LOYTXPGJDOSBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6BrN.BrHO/c3-1-2-4;1-2/h1-2,4H2;2H.
What are the key properties of 2-bromoethanamine;hypobromous acid?
2-bromoethanamine;hypobromous acid has a molecular weight of 220.89 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethanamine;hypobromous acid is sourced from PubChem (CID 159414282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).