4-morpholin-4-ylbenzene-1,2-diamine;sulfuric acid

C10H17N3O5S — CID 70192799

IUPAC4-morpholin-4-ylbenzene-1,2-diamine;sulfuric acid
SMILESNc1ccc(N2CCOCC2)cc1N.O=S(=O)(O)O
InChIInChI=1S/C10H15N3O.H2O4S/c11-9-2-1-8(7-10(9)12)13-3-5-14-6-4-13;1-5(2,3)4/h1-2,7H,3-6,11-12H2;(H2,1,2,3,4)
InChIKeyIUZPDGNPJVLBAW-UHFFFAOYSA-N
MW291.33 g/mol
LogP0.03
Rot. Bonds1

About 4-morpholin-4-ylbenzene-1,2-diamine;sulfuric acid

4-morpholin-4-ylbenzene-1,2-diamine;sulfuric acid (PubChem CID 70192799) has the molecular formula C10H17N3O5S and a molecular weight of 291.33 g/mol. Its IUPAC name is 4-morpholin-4-ylbenzene-1,2-diamine;sulfuric acid.

Molecular Properties

Compound Name4-morpholin-4-ylbenzene-1,2-diamine;sulfuric acid
PubChem CID70192799
Molecular FormulaC10H17N3O5S
Molecular Weight291.33 g/mol
Exact Mass291.09
IUPAC Name4-morpholin-4-ylbenzene-1,2-diamine;sulfuric acid
SMILESNc1ccc(N2CCOCC2)cc1N.O=S(=O)(O)O
InChIInChI=1S/C10H15N3O.H2O4S/c11-9-2-1-8(7-10(9)12)13-3-5-14-6-4-13;1-5(2,3)4/h1-2,7H,3-6,11-12H2;(H2,1,2,3,4)
InChIKeyIUZPDGNPJVLBAW-UHFFFAOYSA-N
XLogP0.03
TPSA139.11 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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CID 70180295
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4-(azocan-1-yl)benzene-1,2-diamine
CID 106750210
4-morpholin-4-yl-2-propan-2-ylaniline
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1-[2-amino-5-(1,4-oxazepan-4-yl)phenyl]ethanone
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CID 14911026
2-[amino(propan-2-yl)amino]-5-morpholin-4-ylaniline
CID 178058840
4-morpholin-4-ylbenzenecarbothioamide
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4-morpholin-4-ylbenzenecarbothioic S-acid
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[4-(3,4-diaminophenyl)morpholin-3-yl]methanol
CID 106751224
4-[4-[(E)-3-(4-morpholin-4-ylphenyl)but-2-en-2-yl]phenyl]morpholine
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CID 67305085

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylbenzene-1,2-diamine;sulfuric acid?
The IUPAC name of 4-morpholin-4-ylbenzene-1,2-diamine;sulfuric acid (CID 70192799) is 4-morpholin-4-ylbenzene-1,2-diamine;sulfuric acid.
What is the SMILES notation for 4-morpholin-4-ylbenzene-1,2-diamine;sulfuric acid?
The canonical SMILES for 4-morpholin-4-ylbenzene-1,2-diamine;sulfuric acid is Nc1ccc(N2CCOCC2)cc1N.O=S(=O)(O)O.
What is the InChIKey of 4-morpholin-4-ylbenzene-1,2-diamine;sulfuric acid?
The InChIKey is IUZPDGNPJVLBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O.H2O4S/c11-9-2-1-8(7-10(9)12)13-3-5-14-6-4-13;1-5(2,3)4/h1-2,7H,3-6,11-12H2;(H2,1,2,3,4).
What are the key properties of 4-morpholin-4-ylbenzene-1,2-diamine;sulfuric acid?
4-morpholin-4-ylbenzene-1,2-diamine;sulfuric acid has a molecular weight of 291.33 g/mol, XLogP of 0.03, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylbenzene-1,2-diamine;sulfuric acid is sourced from PubChem (CID 70192799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).