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L-Valinol

CAT: 0862-GM8064-100gSize: 100 gDry Ice: NoHazardous: No
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CAT#:0862-GM8064-100gSize:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2026-48-4
EC Number
217-975-5
MDL Number
MFCD00064296
HS Code
29221985
Purity
97.00%
Molecular Formula
C5H13NO
Molecular Weight
103.17
Storage Conditions
+20°C
Hazardous Class
Not hazardous

Chemical Information

L-Valinol
CAS Number2026-48-4
PubChem CID640993
IUPAC Name(2S)-2-amino-3-methylbutan-1-ol
Molecular FormulaC5H13NO
Molecular Weight103.16
XLogP0
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity45
SMILES
CC(C)[C@@H](CO)N
InChI
InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m1/s1
InChIKey
NWYYWIJOWOLJNR-RXMQYKEDSA-N
Chemical Structure
2D Structure
2D structure of L-Valinol
CAS: 2026-48-4
CID: 640993
Formula: C5H13NO
MW: 103.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight103.16
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass103.099714038
Monoisotopic Mass103.099714038
Topological Polar Surface Area46.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity45.3
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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