[Go]
PubMed | Entrez | Structure | PubChem | Help
PubChem  » Substance Summary
 


Vitaloid - Substance Summary (SID 548180)


Data Source:   
Depositor: DTP/NCI
External ID: 56349

Depositor-Supplied Synonyms: (Total: 11)
Display: Next 1 | All | Sort:
Vitaloid
Neirin
Neurin
NEURINE
Vinyltrimethylammonium hydroxide
Trimethyl vinyl ammonium hydroxide
Ammonium, trimethylvinyl-, hydroxide
NSC56349
WLN: 1U1K1&1&1 &Q
Ethenaminium, N,N,N-trimethyl-, hydroxide


Properties Computed from Structure:
Molecular Weight103.16282 [g/mol]
Molecular FormulaC5H13NO
H-Bond Donor1
H-Bond Acceptor1
Rotatable Bond Count1
Exact Mass103.099714
MonoIsotopic Mass103.099714
Topological Polar Surface Area1
Heavy Atom Count7
Formal Charge0
Complexity49.4
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count2


Descriptors Computed from Structure:
IUPAC Name: ethenyl(trimethyl)azanium hydroxide
Canonical SMILES: C[N+](C)(C)C=C.[OH-]
InChI: InChI=1S/C5H12N.H2O/c1-5-6(2,3)4;/h5H,1H2,2-4H3;1H2/q+1;/p-1
InChIKey: NIPLIJLVGZCKMP-UHFFFAOYSA-M


Substance Information:
SID 548180   
Deposit Date: 2005-03-27
Modify Date: 2008-02-29

CID 10042   
Create Date: 2005-08-08
Parent CID 10043
Unique Components: 2 Links

Related Substances:
Same: 6 Links

Similar Substances: 24 Links


Depositor-Supplied Comments:
DTP/NCI from molfile. Release-June 2007.
Structure Evaluation:Consistent with Molecular Formula.
Deposition record created from database webdb on host dtpiv1.ncifcrf.gov on Feb 22, 2008
     
Compound Displayed

2D

3D
Compound ID10042
Molecular Weight103.16282 [g/mol]
Molecular FormulaC5H13NO
H-Bond Donor1
H-Bond Acceptor1


 Write to Helpdesk | Disclaimer | Privacy statement | Accessibility