2-amino(113C)ethanol;hydrochloride

C2H8ClNO — CID 13000307

IUPAC2-amino(113C)ethanol;hydrochloride
SMILESCl.NC[13CH2]O
InChIInChI=1S/C2H7NO.ClH/c3-1-2-4;/h4H,1-3H2;1H/i2+1;
InChIKeyPMUNIMVZCACZBB-CGOMOMTCSA-N
MW98.54 g/mol
LogP-0.64
Rot. Bonds1

About 2-amino(113C)ethanol;hydrochloride

2-amino(113C)ethanol;hydrochloride (PubChem CID 13000307) has the molecular formula C2H8ClNO and a molecular weight of 98.54 g/mol. Its IUPAC name is 2-amino(113C)ethanol;hydrochloride.

Molecular Properties

Compound Name2-amino(113C)ethanol;hydrochloride
PubChem CID13000307
Molecular FormulaC2H8ClNO
Molecular Weight98.54 g/mol
Exact Mass98.03
IUPAC Name2-amino(113C)ethanol;hydrochloride
SMILESCl.NC[13CH2]O
InChIInChI=1S/C2H7NO.ClH/c3-1-2-4;/h4H,1-3H2;1H/i2+1;
InChIKeyPMUNIMVZCACZBB-CGOMOMTCSA-N
XLogP-0.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.54
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino(113C)ethanol;hydrochloride?
The IUPAC name of 2-amino(113C)ethanol;hydrochloride (CID 13000307) is 2-amino(113C)ethanol;hydrochloride.
What is the SMILES notation for 2-amino(113C)ethanol;hydrochloride?
The canonical SMILES for 2-amino(113C)ethanol;hydrochloride is Cl.NC[13CH2]O.
What is the InChIKey of 2-amino(113C)ethanol;hydrochloride?
The InChIKey is PMUNIMVZCACZBB-CGOMOMTCSA-N. The full InChI is InChI=1S/C2H7NO.ClH/c3-1-2-4;/h4H,1-3H2;1H/i2+1;.
What are the key properties of 2-amino(113C)ethanol;hydrochloride?
2-amino(113C)ethanol;hydrochloride has a molecular weight of 98.54 g/mol, XLogP of -0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino(113C)ethanol;hydrochloride is sourced from PubChem (CID 13000307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).