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2- (Dimethylamino) -2-methylpropanal

CAT: 0127-OR1071215-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1071215-01Size:50 mg
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CAS Number
16042-92-5
MDL Number
MFCD19300711
Purity
95%
Smiles
CC(C)(N(C)C)C=O

Chemical Information

2-(Dimethylamino)-2-methylpropanal
CAS Number16042-92-5
PubChem CID231652
IUPAC Name2-(dimethylamino)-2-methylpropanal
Molecular FormulaC6H13NO
Molecular Weight115.17
XLogP0.4
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity86
SMILES
CC(C)(C=O)N(C)C
InChI
InChI=1S/C6H13NO/c1-6(2,5-8)7(3)4/h5H,1-4H3
InChIKey
HQVOWZWVYHHPHA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Dimethylamino)-2-methylpropanal
CAS: 16042-92-5
CID: 231652
Formula: C6H13NO
MW: 115.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight115.17
XLogP30.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass115.099714038
Monoisotopic Mass115.099714038
Topological Polar Surface Area20.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity86.5
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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