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9-(Methylthio)-1-nonanamine

CAT: 0572-TRC-M735560-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M735560-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
99868-78-7
Hazard Statement
No Data Available
Smiles
CSCCCCCCCCCN
Molecular Formula
C10 H23 N S
Molecular Weight
189.361
InChI
InChI=1S/C10H23NS/c1-12-10-8-6-4-2-3-5-7-9-11/h2-11H2,1H3
Additionnal Information
IUPAC name: 9-methylsulfanylnonan-1-amine
Shipping Conditions
Room Temperature

Chemical Information

9-(Methylthio)-1-nonanamine
CAS Number99868-78-7
PubChem CID90083987
IUPAC Name9-methylsulfanylnonan-1-amine
Molecular FormulaC10H23NS
Molecular Weight189.36
XLogP3
Topological Polar Surface Area51.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count12
Formal Charge0
Complexity76
SMILES
CSCCCCCCCCCN
InChI
InChI=1S/C10H23NS/c1-12-10-8-6-4-2-3-5-7-9-11/h2-11H2,1H3
InChIKey
FDQUPHXGYBXXNH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-(Methylthio)-1-nonanamine
CAS: 99868-78-7
CID: 90083987
Formula: C10H23NS
MW: 189.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight189.36
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass189.15512091
Monoisotopic Mass189.15512091
Topological Polar Surface Area51.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity76.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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