(3-amino-2-hydroxypropyl) hypochlorite

C3H8ClNO2 — CID 129235335

IUPAC(3-amino-2-hydroxypropyl) hypochlorite
SMILESNCC(O)COCl
InChIInChI=1S/C3H8ClNO2/c4-7-2-3(6)1-5/h3,6H,1-2,5H2
InChIKeySUOVGCZCZZOUAH-UHFFFAOYSA-N
MW125.56 g/mol
LogP-0.52
Rot. Bonds3

About (3-amino-2-hydroxypropyl) hypochlorite

(3-amino-2-hydroxypropyl) hypochlorite (PubChem CID 129235335) has the molecular formula C3H8ClNO2 and a molecular weight of 125.56 g/mol. Its IUPAC name is (3-amino-2-hydroxypropyl) hypochlorite.

Molecular Properties

Compound Name(3-amino-2-hydroxypropyl) hypochlorite
PubChem CID129235335
Molecular FormulaC3H8ClNO2
Molecular Weight125.56 g/mol
Exact Mass125.02
IUPAC Name(3-amino-2-hydroxypropyl) hypochlorite
SMILESNCC(O)COCl
InChIInChI=1S/C3H8ClNO2/c4-7-2-3(6)1-5/h3,6H,1-2,5H2
InChIKeySUOVGCZCZZOUAH-UHFFFAOYSA-N
XLogP-0.52
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.56
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2-hydroxypropyl) hypochlorite?
The IUPAC name of (3-amino-2-hydroxypropyl) hypochlorite (CID 129235335) is (3-amino-2-hydroxypropyl) hypochlorite.
What is the SMILES notation for (3-amino-2-hydroxypropyl) hypochlorite?
The canonical SMILES for (3-amino-2-hydroxypropyl) hypochlorite is NCC(O)COCl.
What is the InChIKey of (3-amino-2-hydroxypropyl) hypochlorite?
The InChIKey is SUOVGCZCZZOUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClNO2/c4-7-2-3(6)1-5/h3,6H,1-2,5H2.
What are the key properties of (3-amino-2-hydroxypropyl) hypochlorite?
(3-amino-2-hydroxypropyl) hypochlorite has a molecular weight of 125.56 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-hydroxypropyl) hypochlorite is sourced from PubChem (CID 129235335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).