benzene-1,2-diamine;carbonic acid

C7H10N2O3 — CID 22256139

IUPACbenzene-1,2-diamine;carbonic acid
SMILESNc1ccccc1N.O=C(O)O
InChIInChI=1S/C6H8N2.CH2O3/c7-5-3-1-2-4-6(5)8;2-1(3)4/h1-4H,7-8H2;(H2,2,3,4)
InChIKeyDZOFPAXKNLHMRL-UHFFFAOYSA-N
MW170.17 g/mol
LogP1.07
Rot. Bonds

About benzene-1,2-diamine;carbonic acid

benzene-1,2-diamine;carbonic acid (PubChem CID 22256139) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is benzene-1,2-diamine;carbonic acid.

Molecular Properties

Compound Namebenzene-1,2-diamine;carbonic acid
PubChem CID22256139
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Namebenzene-1,2-diamine;carbonic acid
SMILESNc1ccccc1N.O=C(O)O
InChIInChI=1S/C6H8N2.CH2O3/c7-5-3-1-2-4-6(5)8;2-1(3)4/h1-4H,7-8H2;(H2,2,3,4)
InChIKeyDZOFPAXKNLHMRL-UHFFFAOYSA-N
XLogP1.07
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

benzene-1,2-diamine;hydrogen peroxide;hydrochloride
CID 175004407
benzene-1,2-diamine;propanoic acid
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benzene-1,2-diamine;tetrahydrofluoride
CID 174941051
benzene-1,2-diamine;zinc
CID 70562194
benzene-1,2-diamine;2-carbamoylbenzoic acid
CID 175046115
sodium;aniline;carbonic acid;hydride
CID 175280477
CID 172796646
CID 172796646
bis(2-aminobenzoic acid);nickel
CID 73156847
2-aminobenzoic acid;azane
CID 21425790
2-aminobenzoic acid;hydrate
CID 70144361
benzene-1,2-diamine;benzene-1,3,5-tricarboxamide
CID 67830844
CID 175145864
CID 175145864

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diamine;carbonic acid?
The IUPAC name of benzene-1,2-diamine;carbonic acid (CID 22256139) is benzene-1,2-diamine;carbonic acid.
What is the SMILES notation for benzene-1,2-diamine;carbonic acid?
The canonical SMILES for benzene-1,2-diamine;carbonic acid is Nc1ccccc1N.O=C(O)O.
What is the InChIKey of benzene-1,2-diamine;carbonic acid?
The InChIKey is DZOFPAXKNLHMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.CH2O3/c7-5-3-1-2-4-6(5)8;2-1(3)4/h1-4H,7-8H2;(H2,2,3,4).
What are the key properties of benzene-1,2-diamine;carbonic acid?
benzene-1,2-diamine;carbonic acid has a molecular weight of 170.17 g/mol, XLogP of 1.07, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diamine;carbonic acid is sourced from PubChem (CID 22256139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).