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ST5274171,,, :Molecular Weight156.2685 [g/mol]Molecular FormulaC9H20

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摘 要:ST5274171,,, :Molecular Weight156.2685 [g/mol]Molecular FormulaC9H20N2XLogP0.9H-Bond Donor1H-Bond Acceptor2Rotatable Bond Count3Exact Mass156.162649MonoIsotopic Mass156.162649Topological Polar Surface Area29.3Heavy Atom Count11Formal Charge0Complex
[Synonyms]
ST5274171


Properties Computed from Structure:Molecular Weight156.2685 [g/mol]Molecular FormulaC9H20N2XLogP0.9H-Bond Donor1H-Bond Acceptor2Rotatable Bond Count3Exact Mass156.162649MonoIsotopic Mass156.162649Topological Polar Surface Area29.3Heavy Atom Count11Formal Charge0Complexity85.6Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1

Descriptors Computed from Structure:IUPAC Name: 3-(azepan-1-yl)propan-1-amine
Canonical SMILES: C1CCCN(CC1)CCCN
InChI: InChI=1/C9H20N2/c10-6-5-9-11-7-3-1-2-4-8-11/h1-10H2


Compound Info:CID: 2764395  Create Date: 2005-07-19

Similar Compounds: 16 Links


Substance Info:Substances:
    All: 9 Links
    Same structure: 6 Links
    Mixture: 3 Links

Category: [for same structure substances]Biological Properties: 1 Link
   DiscoveryGate ( 1 )
SID: 8301067 - External ID: 2764395

Physical Properties: 1 Link
   ChemExper Chemical Directory ( 1 )
SID: 3193106 - External ID: Hmu@@@WIHddd^Fjjj`@@

Substance Vendors: 4 Links
   Ambinter ( 1 )
SID: 48502281 - External ID: ST5274171
   ChemExper Chemical Directory ( 1 )
SID: 3193106 - External ID: Hmu@@@WIHddd^Fjjj`@@
   ChemSpider ( 2 )
SID: 37349336 - External ID: 10621206
SID: 39179382 - External ID: 2045071

Theoretical Properties: 1 Link
   ChemDB ( 1 )
SID: 6622724 - External ID: 3999485

ASN1DisplaySaveXMLDisplaySaveSDFDisplaySave Compound ID2764395Molecular Weight156.2685 [g/mol]Molecular FormulaC9H20N2XLogP0.9H-Bond Donor1H-Bond Acceptor2  Links
Chemical Structure Search

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[Structure]
ST5274171,,,   :Molecular Weight156.2685 [g/mol]Molecular FormulaC9H20

[ Properties Computed from Structure]
Molecular Weight156.2685 [g/mol]
Molecular FormulaC9H20N2
XLogP0.9
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count3
Exact Mass156.162649
MonoIsotopic Mass156.162649
Topological Polar Surface Area29.3
Heavy Atom Count11
Formal Charge0
Complexity85.6
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3-(azepan-1-yl)propan-1-amine
Canonical SMILES: C1CCCN(CC1)CCCN
InChI: InChI=1/C9H20N2/c10-6-5-9-11-7-3-1-2-4-8-11/h1-10H2

 
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