alumane;amino nitro carbonate;hydrate

CH10Al2N2O6 — CID 175254737

IUPACalumane;amino nitro carbonate;hydrate
SMILESNOC(=O)O[N+](=O)[O-].O.[AlH3].[AlH3]
InChIInChI=1S/CH2N2O5.2Al.H2O.6H/c2-7-1(4)8-3(5)6;;;;;;;;;/h2H2;;;1H2;;;;;;
InChIKeyFWAIUYUHGBCSPJ-UHFFFAOYSA-N
MW200.06 g/mol
LogP-3.99
Rot. Bonds1

About alumane;amino nitro carbonate;hydrate

alumane;amino nitro carbonate;hydrate (PubChem CID 175254737) has the molecular formula CH10Al2N2O6 and a molecular weight of 200.06 g/mol. Its IUPAC name is alumane;amino nitro carbonate;hydrate.

Molecular Properties

Compound Namealumane;amino nitro carbonate;hydrate
PubChem CID175254737
Molecular FormulaCH10Al2N2O6
Molecular Weight200.06 g/mol
Exact Mass200.02
IUPAC Namealumane;amino nitro carbonate;hydrate
SMILESNOC(=O)O[N+](=O)[O-].O.[AlH3].[AlH3]
InChIInChI=1S/CH2N2O5.2Al.H2O.6H/c2-7-1(4)8-3(5)6;;;;;;;;;/h2H2;;;1H2;;;;;;
InChIKeyFWAIUYUHGBCSPJ-UHFFFAOYSA-N
XLogP-3.99
TPSA136.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.06
LogP ≤ 5-3.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 174849220
alumane;hydroxy nitrate;zinc
CID 173333197
amino nitrate;platinum
CID 174487148
nitro 2-aminoacetate;ruthenium
CID 175369443
nitro carbonofluoridate
CID 149152003
alumane;chloro nitrate;hydrate
CID 174985716
nitric acid;urea;hexahydrate
CID 175389070
nitro 2-hydroxyacetate
CID 141320086
azane;hydroxy nitrate
CID 173145569
hydroxy nitrate;lanthanum
CID 159833759
nitro N-(sulfanylidenemethylidene)carbamate
CID 149152004
nitro prop-2-enoate
CID 22400648

Frequently Asked Questions

What is the IUPAC name of alumane;amino nitro carbonate;hydrate?
The IUPAC name of alumane;amino nitro carbonate;hydrate (CID 175254737) is alumane;amino nitro carbonate;hydrate.
What is the SMILES notation for alumane;amino nitro carbonate;hydrate?
The canonical SMILES for alumane;amino nitro carbonate;hydrate is NOC(=O)O[N+](=O)[O-].O.[AlH3].[AlH3].
What is the InChIKey of alumane;amino nitro carbonate;hydrate?
The InChIKey is FWAIUYUHGBCSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2N2O5.2Al.H2O.6H/c2-7-1(4)8-3(5)6;;;;;;;;;/h2H2;;;1H2;;;;;;.
What are the key properties of alumane;amino nitro carbonate;hydrate?
alumane;amino nitro carbonate;hydrate has a molecular weight of 200.06 g/mol, XLogP of -3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;amino nitro carbonate;hydrate is sourced from PubChem (CID 175254737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).