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1-Methyl-1,4,7-triazonane

CAT: 0926-RFA21311-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-RFA21311-01Size:50 mg
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CAS Number
141213-11-8
MDL Number
MFCD19217389
Smiles
CN1CCNCCNCC1
Molecular Formula
C7H17N3
Molecular Weight
143.23 g/mol
Controlled
No

Chemical Information

1-Methyl-1,4,7-triazonane
CAS Number141213-11-8
PubChem CID11018988
IUPAC Name1-methyl-1,4,7-triazonane
Molecular FormulaC7H17N3
Molecular Weight143.23
XLogP-0.8
Topological Polar Surface Area27.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity74
SMILES
CN1CCNCCNCC1
InChI
InChI=1S/C7H17N3/c1-10-6-4-8-2-3-9-5-7-10/h8-9H,2-7H2,1H3
InChIKey
NUPGMEYEZNUVEF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Methyl-1,4,7-triazonane
CAS: 141213-11-8
CID: 11018988
Formula: C7H17N3
MW: 143.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight143.23
XLogP3-0.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass143.142247555
Monoisotopic Mass143.142247555
Topological Polar Surface Area27.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity74.9
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