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(S)-1,1-Diethoxy-2-propanamine

CAT: 0572-TRC-D442125-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D442125-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
126147-80-6
Hazard Statement
No Data Available
Smiles
CCOC(OCC)[C@H](C)N
Molecular Formula
C7 H17 N O2
Molecular Weight
147.215
InChI
InChI=1S/C7H17NO2/c1-4-9-7(6(3)8)10-5-2/h6-7H,4-5,8H2,1-3H3/t6-/m0/s1
Additionnal Information
IUPAC name: (2S)-1,1-diethoxypropan-2-amine
Shipping Conditions
Room Temperature

Chemical Information

(2S)-1,1-Diethoxy-2-propanamine
CAS Number126147-80-6
PubChem CID12398111
IUPAC Name(2S)-1,1-diethoxypropan-2-amine
Molecular FormulaC7H17NO2
Molecular Weight147.22
XLogP0.3
Topological Polar Surface Area44.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count10
Formal Charge0
Complexity72
SMILES
CCOC([C@H](C)N)OCC
InChI
InChI=1S/C7H17NO2/c1-4-9-7(6(3)8)10-5-2/h6-7H,4-5,8H2,1-3H3/t6-/m0/s1
InChIKey
MLTOHCRTGWUMIR-LURJTMIESA-N
Chemical Structure
2D Structure
2D structure of (2S)-1,1-Diethoxy-2-propanamine
CAS: 126147-80-6
CID: 12398111
Formula: C7H17NO2
MW: 147.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight147.22
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass147.125928785
Monoisotopic Mass147.125928785
Topological Polar Surface Area44.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity72
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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