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N-Boc-D-3,4-Dichlorophenylalaninol

CAT: 0572-TRC-B646700-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B646700-1GSize:1 g
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CAS Number
235439-56-2
Synonyms
[(1R)-2-(3,4-Dichlorophenyl)-1-(hydroxymethyl)ethyl]-carbamic Acid 1,1-Dimethylethyl Ester
Hazard Statement
No Data Available
Smiles
CC(C)(OC(N[C@@H](CO)CC1=CC(Cl)=C(Cl)C=C1)=O)C
Molecular Formula
C14H19Cl2NO3
Molecular Weight
320.21
InChI
InChI=1S/C14H19Cl2NO3/c1-14(2,3)20-13(19)17-10(8-18)6-9-4-5-11(15)12(16)7-9/h4-5,7,10,18H,6,8H2,1-3H3,(H,17,19)/t10-/m1/s1
Additionnal Information
IUPAC name: tert-butyl (R)-(1-(3,4-dichlorophenyl)-3-hydroxypropan-2-yl)carbamate
Shipping Conditions
Room Temperature

Chemical Information

Tert-butyl N-[(2R)-1-(3,4-dichlorophenyl)-3-hydroxypropan-2-yl]carbamate
CAS Number235439-56-2
PubChem CID15431785
IUPAC Nametert-butyl N-[(2R)-1-(3,4-dichlorophenyl)-3-hydroxypropan-2-yl]carbamate
Molecular FormulaC14H19Cl2NO3
Molecular Weight320.2
XLogP3.5
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity320
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=CC(=C(C=C1)Cl)Cl)CO
InChI
InChI=1S/C14H19Cl2NO3/c1-14(2,3)20-13(19)17-10(8-18)6-9-4-5-11(15)12(16)7-9/h4-5,7,10,18H,6,8H2,1-3H3,(H,17,19)/t10-/m1/s1
InChIKey
IJGQDOXDMWLOHD-SNVBAGLBSA-N
Chemical Structure
2D Structure
2D structure of Tert-butyl N-[(2R)-1-(3,4-dichlorophenyl)-3-hydroxypropan-2-yl]carbamate
CAS: 235439-56-2
CID: 15431785
Formula: C14H19Cl2NO3
MW: 320.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.2
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass319.0741989
Monoisotopic Mass319.0741989
Topological Polar Surface Area58.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity320
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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