sulfuric acid;3-triethoxysilylpropan-1-amine

C9H25NO7SSi — CID 172732865

IUPACsulfuric acid;3-triethoxysilylpropan-1-amine
SMILESCCO[Si](CCCN)(OCC)OCC.O=S(=O)(O)O
InChIInChI=1S/C9H23NO3Si.H2O4S/c1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-5(2,3)4/h4-10H2,1-3H3;(H2,1,2,3,4)
InChIKeyIALJZJZUOZFFJX-UHFFFAOYSA-N
MW319.45 g/mol
LogP0.73
Rot. Bonds9

About sulfuric acid;3-triethoxysilylpropan-1-amine

sulfuric acid;3-triethoxysilylpropan-1-amine (PubChem CID 172732865) has the molecular formula C9H25NO7SSi and a molecular weight of 319.45 g/mol. Its IUPAC name is sulfuric acid;3-triethoxysilylpropan-1-amine.

Molecular Properties

Compound Namesulfuric acid;3-triethoxysilylpropan-1-amine
PubChem CID172732865
Molecular FormulaC9H25NO7SSi
Molecular Weight319.45 g/mol
Exact Mass319.11
IUPAC Namesulfuric acid;3-triethoxysilylpropan-1-amine
SMILESCCO[Si](CCCN)(OCC)OCC.O=S(=O)(O)O
InChIInChI=1S/C9H23NO3Si.H2O4S/c1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-5(2,3)4/h4-10H2,1-3H3;(H2,1,2,3,4)
InChIKeyIALJZJZUOZFFJX-UHFFFAOYSA-N
XLogP0.73
TPSA128.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl carbamate;3-triethoxysilylpropan-1-amine
CID 90205560
36-triethoxysilylhexatriacontan-1-amine
CID 87683625
3-triethoxysilylpropan-1-amine;3-triethoxysilylpropylurea
CID 88634615
3-[[3-aminopropyl-[3-aminopropyl(diethoxy)silyl]oxy-ethoxysilyl]oxy-diethoxysilyl]propan-1-amine
CID 143956342
12-triethoxysilyldodecan-1-amine;hydrochloride
CID 175579282
ethanol;bis(3-[ethoxy(dihydroxy)silyl]propan-1-amine);methane;bis(3-triethoxysilylpropan-1-amine)
CID 167608447
hydroxy(methyl)silane;3-triethoxysilylpropan-1-amine;bis(3-trimethylsilylpropan-1-amine)
CID 159301197
3-[diethoxy(methoxy)silyl]propan-1-amine;3-[ethoxy(dimethoxy)silyl]propan-1-amine;3-trimethoxysilylpropan-1-amine
CID 159243688
3-(3-triethoxysilylpropoxy)propan-1-amine
CID 54154158
[3-aminopropyl(diethoxy)silyl] triethyl silicate
CID 22065708
N-ethyl-3-triethoxysilylpropan-1-amine;3-triethoxysilylpropan-1-amine
CID 88688172
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044

Frequently Asked Questions

What is the IUPAC name of sulfuric acid;3-triethoxysilylpropan-1-amine?
The IUPAC name of sulfuric acid;3-triethoxysilylpropan-1-amine (CID 172732865) is sulfuric acid;3-triethoxysilylpropan-1-amine.
What is the SMILES notation for sulfuric acid;3-triethoxysilylpropan-1-amine?
The canonical SMILES for sulfuric acid;3-triethoxysilylpropan-1-amine is CCO[Si](CCCN)(OCC)OCC.O=S(=O)(O)O.
What is the InChIKey of sulfuric acid;3-triethoxysilylpropan-1-amine?
The InChIKey is IALJZJZUOZFFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23NO3Si.H2O4S/c1-4-11-14(12-5-2,13-6-3)9-7-8-10;1-5(2,3)4/h4-10H2,1-3H3;(H2,1,2,3,4).
What are the key properties of sulfuric acid;3-triethoxysilylpropan-1-amine?
sulfuric acid;3-triethoxysilylpropan-1-amine has a molecular weight of 319.45 g/mol, XLogP of 0.73, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;3-triethoxysilylpropan-1-amine is sourced from PubChem (CID 172732865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).