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Boc-D-phenylalaninol

CAT: 0862-GM7978-1gSize: 1 gDry Ice: NoHazardous: No
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CAT#:0862-GM7978-1gSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
106454-69-7
MDL Number
MFCD00216472
HS Code
2924297099
Purity
98.00%
Molecular Formula
C14H21NO3
Molecular Weight
251.33
Storage Conditions
+4°C
Hazardous Class
Not hazardous

Chemical Information

tert-butyl N-((2R)-1-hydroxy-3-phenylpropan-2-yl)carbamate
CAS Number106454-69-7
PubChem CID7019371
IUPAC Nametert-butyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate
Molecular FormulaC14H21NO3
Molecular Weight251.32
XLogP2.3
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count18
Formal Charge0
Complexity254
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)CO
InChI
InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15-12(10-16)9-11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,15,17)/t12-/m1/s1
InChIKey
LDKDMDVMMCXTMO-GFCCVEGCSA-N
Chemical Structure
2D Structure
2D structure of tert-butyl N-((2R)-1-hydroxy-3-phenylpropan-2-yl)carbamate
CAS: 106454-69-7
CID: 7019371
Formula: C14H21NO3
MW: 251.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight251.32
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass251.15214353
Monoisotopic Mass251.15214353
Topological Polar Surface Area58.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity254
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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