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5-Methoxy-2-methylpentan-2-amine

CAT: 0926-YZB59852-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-YZB59852-01Size:50 mg
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CAS Number
1248598-52-8
MDL Number
MFCD16818862
Smiles
CC (C) (CCCOC) N
Molecular Formula
C7H17NO
Molecular Weight
131.2 g/mol
Controlled
No

Chemical Information

5-Methoxy-2-methylpentan-2-amine
CAS Number1248598-52-8
PubChem CID62621459
IUPAC Name5-methoxy-2-methylpentan-2-amine
Molecular FormulaC7H17NO
Molecular Weight131.22
XLogP0.5
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity71
SMILES
CC(C)(CCCOC)N
InChI
InChI=1S/C7H17NO/c1-7(2,8)5-4-6-9-3/h4-6,8H2,1-3H3
InChIKey
FJGSGNQHCRJGHY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methoxy-2-methylpentan-2-amine
CAS: 1248598-52-8
CID: 62621459
Formula: C7H17NO
MW: 131.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight131.22
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass131.131014166
Monoisotopic Mass131.131014166
Topological Polar Surface Area35.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity71.3
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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