bis(2-aminoethyl) carbonate;hydrochloride

C5H13ClN2O3 — CID 57454907

IUPACbis(2-aminoethyl) carbonate;hydrochloride
SMILESCl.NCCOC(=O)OCCN
InChIInChI=1S/C5H12N2O3.ClH/c6-1-3-9-5(8)10-4-2-7;/h1-4,6-7H2;1H
InChIKeyNRMRKNVSEPAJFL-UHFFFAOYSA-N
MW184.62 g/mol
LogP-0.52
Rot. Bonds4

About bis(2-aminoethyl) carbonate;hydrochloride

bis(2-aminoethyl) carbonate;hydrochloride (PubChem CID 57454907) has the molecular formula C5H13ClN2O3 and a molecular weight of 184.62 g/mol. Its IUPAC name is bis(2-aminoethyl) carbonate;hydrochloride.

Molecular Properties

Compound Namebis(2-aminoethyl) carbonate;hydrochloride
PubChem CID57454907
Molecular FormulaC5H13ClN2O3
Molecular Weight184.62 g/mol
Exact Mass184.06
IUPAC Namebis(2-aminoethyl) carbonate;hydrochloride
SMILESCl.NCCOC(=O)OCCN
InChIInChI=1S/C5H12N2O3.ClH/c6-1-3-9-5(8)10-4-2-7;/h1-4,6-7H2;1H
InChIKeyNRMRKNVSEPAJFL-UHFFFAOYSA-N
XLogP-0.52
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(2-aminoethyl) carbonate;hydrochloride?
The IUPAC name of bis(2-aminoethyl) carbonate;hydrochloride (CID 57454907) is bis(2-aminoethyl) carbonate;hydrochloride.
What is the SMILES notation for bis(2-aminoethyl) carbonate;hydrochloride?
The canonical SMILES for bis(2-aminoethyl) carbonate;hydrochloride is Cl.NCCOC(=O)OCCN.
What is the InChIKey of bis(2-aminoethyl) carbonate;hydrochloride?
The InChIKey is NRMRKNVSEPAJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3.ClH/c6-1-3-9-5(8)10-4-2-7;/h1-4,6-7H2;1H.
What are the key properties of bis(2-aminoethyl) carbonate;hydrochloride?
bis(2-aminoethyl) carbonate;hydrochloride has a molecular weight of 184.62 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminoethyl) carbonate;hydrochloride is sourced from PubChem (CID 57454907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).