carbonic acid;ethane-1,2-diamine

C6H16N2O12 — CID 22445535

IUPACcarbonic acid;ethane-1,2-diamine
SMILESNCCN.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O
InChIInChI=1S/C2H8N2.4CH2O3/c3-1-2-4;4*2-1(3)4/h1-4H2;4*(H2,2,3,4)
InChIKeyWTSZESJNTXMQFP-UHFFFAOYSA-N
MW308.20 g/mol
LogP-0.21
Rot. Bonds1

About carbonic acid;ethane-1,2-diamine

carbonic acid;ethane-1,2-diamine (PubChem CID 22445535) has the molecular formula C6H16N2O12 and a molecular weight of 308.20 g/mol. Its IUPAC name is carbonic acid;ethane-1,2-diamine.

Molecular Properties

Compound Namecarbonic acid;ethane-1,2-diamine
PubChem CID22445535
Molecular FormulaC6H16N2O12
Molecular Weight308.20 g/mol
Exact Mass308.07
IUPAC Namecarbonic acid;ethane-1,2-diamine
SMILESNCCN.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O
InChIInChI=1S/C2H8N2.4CH2O3/c3-1-2-4;4*2-1(3)4/h1-4H2;4*(H2,2,3,4)
InChIKeyWTSZESJNTXMQFP-UHFFFAOYSA-N
XLogP-0.21
TPSA282.16 Ų
H-Bond Donors10
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.20
LogP ≤ 5-0.21
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 157437445
CID 160895097
CID 160895097
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CID 173312624
CID 173009716
CID 173009716
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Frequently Asked Questions

What is the IUPAC name of carbonic acid;ethane-1,2-diamine?
The IUPAC name of carbonic acid;ethane-1,2-diamine (CID 22445535) is carbonic acid;ethane-1,2-diamine.
What is the SMILES notation for carbonic acid;ethane-1,2-diamine?
The canonical SMILES for carbonic acid;ethane-1,2-diamine is NCCN.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.
What is the InChIKey of carbonic acid;ethane-1,2-diamine?
The InChIKey is WTSZESJNTXMQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2.4CH2O3/c3-1-2-4;4*2-1(3)4/h1-4H2;4*(H2,2,3,4).
What are the key properties of carbonic acid;ethane-1,2-diamine?
carbonic acid;ethane-1,2-diamine has a molecular weight of 308.20 g/mol, XLogP of -0.21, 1 rotatable bonds, 10 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;ethane-1,2-diamine is sourced from PubChem (CID 22445535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).