2-aminoacetyl chloride;hydrochloride

C2H5Cl2NO — CID 15561435

IUPAC2-aminoacetyl chloride;hydrochloride
SMILESCl.NCC(=O)Cl
InChIInChI=1S/C2H4ClNO.ClH/c3-2(5)1-4;/h1,4H2;1H
InChIKeyZAKRZZDABWCUGW-UHFFFAOYSA-N
MW129.97 g/mol
LogP0.13
Rot. Bonds1

About 2-aminoacetyl chloride;hydrochloride

2-aminoacetyl chloride;hydrochloride (PubChem CID 15561435) has the molecular formula C2H5Cl2NO and a molecular weight of 129.97 g/mol. Its IUPAC name is 2-aminoacetyl chloride;hydrochloride.

Molecular Properties

Compound Name2-aminoacetyl chloride;hydrochloride
PubChem CID15561435
Molecular FormulaC2H5Cl2NO
Molecular Weight129.97 g/mol
Exact Mass128.97
IUPAC Name2-aminoacetyl chloride;hydrochloride
SMILESCl.NCC(=O)Cl
InChIInChI=1S/C2H4ClNO.ClH/c3-2(5)1-4;/h1,4H2;1H
InChIKeyZAKRZZDABWCUGW-UHFFFAOYSA-N
XLogP0.13
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.97
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetyl chloride;hydrochloride?
The IUPAC name of 2-aminoacetyl chloride;hydrochloride (CID 15561435) is 2-aminoacetyl chloride;hydrochloride.
What is the SMILES notation for 2-aminoacetyl chloride;hydrochloride?
The canonical SMILES for 2-aminoacetyl chloride;hydrochloride is Cl.NCC(=O)Cl.
What is the InChIKey of 2-aminoacetyl chloride;hydrochloride?
The InChIKey is ZAKRZZDABWCUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4ClNO.ClH/c3-2(5)1-4;/h1,4H2;1H.
What are the key properties of 2-aminoacetyl chloride;hydrochloride?
2-aminoacetyl chloride;hydrochloride has a molecular weight of 129.97 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetyl chloride;hydrochloride is sourced from PubChem (CID 15561435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).