3-(hydroxyamino)propan-1-ol;hydrochloride

C3H10ClNO2 — CID 86079681

IUPAC3-(hydroxyamino)propan-1-ol;hydrochloride
SMILESCl.OCCCNO
InChIInChI=1S/C3H9NO2.ClH/c5-3-1-2-4-6;/h4-6H,1-3H2;1H
InChIKeyFQZPXQKWOPMSOA-UHFFFAOYSA-N
MW127.57 g/mol
LogP-0.23
Rot. Bonds3

About 3-(hydroxyamino)propan-1-ol;hydrochloride

3-(hydroxyamino)propan-1-ol;hydrochloride (PubChem CID 86079681) has the molecular formula C3H10ClNO2 and a molecular weight of 127.57 g/mol. Its IUPAC name is 3-(hydroxyamino)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-(hydroxyamino)propan-1-ol;hydrochloride
PubChem CID86079681
Molecular FormulaC3H10ClNO2
Molecular Weight127.57 g/mol
Exact Mass127.04
IUPAC Name3-(hydroxyamino)propan-1-ol;hydrochloride
SMILESCl.OCCCNO
InChIInChI=1S/C3H9NO2.ClH/c5-3-1-2-4-6;/h4-6H,1-3H2;1H
InChIKeyFQZPXQKWOPMSOA-UHFFFAOYSA-N
XLogP-0.23
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.57
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxyamino)propan-1-ol;hydrochloride?
The IUPAC name of 3-(hydroxyamino)propan-1-ol;hydrochloride (CID 86079681) is 3-(hydroxyamino)propan-1-ol;hydrochloride.
What is the SMILES notation for 3-(hydroxyamino)propan-1-ol;hydrochloride?
The canonical SMILES for 3-(hydroxyamino)propan-1-ol;hydrochloride is Cl.OCCCNO.
What is the InChIKey of 3-(hydroxyamino)propan-1-ol;hydrochloride?
The InChIKey is FQZPXQKWOPMSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2.ClH/c5-3-1-2-4-6;/h4-6H,1-3H2;1H.
What are the key properties of 3-(hydroxyamino)propan-1-ol;hydrochloride?
3-(hydroxyamino)propan-1-ol;hydrochloride has a molecular weight of 127.57 g/mol, XLogP of -0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxyamino)propan-1-ol;hydrochloride is sourced from PubChem (CID 86079681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).