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L-Tert-Leucinol

CAT: 1489-L1690-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:1489-L1690-01Size:1 g
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CAS Number
112245-13-3
Purity
0.98

Chemical Information

(2S)-2-Amino-3,3-dimethyl-1-butanol
CAS Number112245-13-3
PubChem CID2734079
IUPAC Name(2S)-2-amino-3,3-dimethylbutan-1-ol
Molecular FormulaC6H15NO
Molecular Weight117.19
XLogP0.4
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity65
SMILES
CC(C)(C)[C@@H](CO)N
InChI
InChI=1S/C6H15NO/c1-6(2,3)5(7)4-8/h5,8H,4,7H2,1-3H3/t5-/m1/s1
InChIKey
JBULSURVMXPBNA-RXMQYKEDSA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-Amino-3,3-dimethyl-1-butanol
CAS: 112245-13-3
CID: 2734079
Formula: C6H15NO
MW: 117.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight117.19
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass117.115364102
Monoisotopic Mass117.115364102
Topological Polar Surface Area46.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity65.4
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