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N-Boc-D-alaninol

CAT: 0572-TRC-B600583-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B600583-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
106391-86-0
Hazard Statement
No Data Available
Smiles
C[C@H](CO)NC(=O)OC(C)(C)C
Molecular Formula
C8H17NO3
Molecular Weight
175.23
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

tert-butyl N-((2R)-1-hydroxypropan-2-yl)carbamate
CAS Number106391-86-0
PubChem CID13200309
IUPAC Nametert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
Molecular FormulaC8H17NO3
Molecular Weight175.23
XLogP0.7
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity151
SMILES
C[C@H](CO)NC(=O)OC(C)(C)C
InChI
InChI=1S/C8H17NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m1/s1
InChIKey
PDAFIZPRSXHMCO-ZCFIWIBFSA-N
Chemical Structure
2D Structure
2D structure of tert-butyl N-((2R)-1-hydroxypropan-2-yl)carbamate
CAS: 106391-86-0
CID: 13200309
Formula: C8H17NO3
MW: 175.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight175.23
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass175.12084340
Monoisotopic Mass175.12084340
Topological Polar Surface Area58.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity151
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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