2-amino(1,2-13C2)ethanol;hydrochloride

C2H8ClNO — CID 71310298

IUPAC2-amino(1,2-13C2)ethanol;hydrochloride
SMILESCl.N[13CH2][13CH2]O
InChIInChI=1S/C2H7NO.ClH/c3-1-2-4;/h4H,1-3H2;1H/i1+1,2+1;
InChIKeyPMUNIMVZCACZBB-AWQJXPNKSA-N
MW99.53 g/mol
LogP-0.64
Rot. Bonds1

About 2-amino(1,2-13C2)ethanol;hydrochloride

2-amino(1,2-13C2)ethanol;hydrochloride (PubChem CID 71310298) has the molecular formula C2H8ClNO and a molecular weight of 99.53 g/mol. Its IUPAC name is 2-amino(1,2-13C2)ethanol;hydrochloride.

Molecular Properties

Compound Name2-amino(1,2-13C2)ethanol;hydrochloride
PubChem CID71310298
Molecular FormulaC2H8ClNO
Molecular Weight99.53 g/mol
Exact Mass99.04
IUPAC Name2-amino(1,2-13C2)ethanol;hydrochloride
SMILESCl.N[13CH2][13CH2]O
InChIInChI=1S/C2H7NO.ClH/c3-1-2-4;/h4H,1-3H2;1H/i1+1,2+1;
InChIKeyPMUNIMVZCACZBB-AWQJXPNKSA-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 ≤ 50099.53
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(1,2-13C2)ethanol;hydrochloride?
The IUPAC name of 2-amino(1,2-13C2)ethanol;hydrochloride (CID 71310298) is 2-amino(1,2-13C2)ethanol;hydrochloride.
What is the SMILES notation for 2-amino(1,2-13C2)ethanol;hydrochloride?
The canonical SMILES for 2-amino(1,2-13C2)ethanol;hydrochloride is Cl.N[13CH2][13CH2]O.
What is the InChIKey of 2-amino(1,2-13C2)ethanol;hydrochloride?
The InChIKey is PMUNIMVZCACZBB-AWQJXPNKSA-N. The full InChI is InChI=1S/C2H7NO.ClH/c3-1-2-4;/h4H,1-3H2;1H/i1+1,2+1;.
What are the key properties of 2-amino(1,2-13C2)ethanol;hydrochloride?
2-amino(1,2-13C2)ethanol;hydrochloride has a molecular weight of 99.53 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(1,2-13C2)ethanol;hydrochloride is sourced from PubChem (CID 71310298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).