3-(chloroamino)oxypropan-1-ol

C3H8ClNO2 — CID 88970647

IUPAC3-(chloroamino)oxypropan-1-ol
SMILESOCCCONCl
InChIInChI=1S/C3H8ClNO2/c4-5-7-3-1-2-6/h5-6H,1-3H2
InChIKeyANZYRTSMLZLPDH-UHFFFAOYSA-N
MW125.56 g/mol
LogP0.04
Rot. Bonds4

About 3-(chloroamino)oxypropan-1-ol

3-(chloroamino)oxypropan-1-ol (PubChem CID 88970647) has the molecular formula C3H8ClNO2 and a molecular weight of 125.56 g/mol. Its IUPAC name is 3-(chloroamino)oxypropan-1-ol.

Molecular Properties

Compound Name3-(chloroamino)oxypropan-1-ol
PubChem CID88970647
Molecular FormulaC3H8ClNO2
Molecular Weight125.56 g/mol
Exact Mass125.02
IUPAC Name3-(chloroamino)oxypropan-1-ol
SMILESOCCCONCl
InChIInChI=1S/C3H8ClNO2/c4-5-7-3-1-2-6/h5-6H,1-3H2
InChIKeyANZYRTSMLZLPDH-UHFFFAOYSA-N
XLogP0.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.56
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(methylaminooxy)propan-1-ol
CID 117126701
3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 15061564
3-[1,1-bis(3-hydroxypropoxy)ethoxy]propan-1-ol
CID 87545299
3-[3-[3-[3-[3-[3-[3-[3-[3-[6-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]hexoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 59025207
4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol
CID 90752305
3-hydroxypropoxymethanediol
CID 54044719
(2S)-2-(3-hydroxypropoxyamino)-3,3-dimethylbutanoic acid
CID 122494316
CID 22714862
CID 22714862
3-(iodomethoxy)propan-1-ol
CID 89078157
8-hydroxyoctyl hypochlorite
CID 140551287
CID 174954597
CID 174954597
3-[[bis(3-hydroxypropoxymethyl)amino]methoxy]propan-1-ol
CID 171055863

Frequently Asked Questions

What is the IUPAC name of 3-(chloroamino)oxypropan-1-ol?
The IUPAC name of 3-(chloroamino)oxypropan-1-ol (CID 88970647) is 3-(chloroamino)oxypropan-1-ol.
What is the SMILES notation for 3-(chloroamino)oxypropan-1-ol?
The canonical SMILES for 3-(chloroamino)oxypropan-1-ol is OCCCONCl.
What is the InChIKey of 3-(chloroamino)oxypropan-1-ol?
The InChIKey is ANZYRTSMLZLPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClNO2/c4-5-7-3-1-2-6/h5-6H,1-3H2.
What are the key properties of 3-(chloroamino)oxypropan-1-ol?
3-(chloroamino)oxypropan-1-ol has a molecular weight of 125.56 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloroamino)oxypropan-1-ol is sourced from PubChem (CID 88970647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).