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Thalidomide-NH-C6-NH-Boc

CAT: 0127-OR1006470-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1006470-01Size:100 mg
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CAS Number
2093536-13-9
Purity
96%
Smiles
O=C(OC(C)(C)C)NCCCCCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O

Chemical Information

Thalidomide-NH-C6-NH-Boc
CAS Number2093536-13-9
PubChem CID134559334
IUPAC Nametert-butyl N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]carbamate
Molecular FormulaC24H32N4O6
Molecular Weight472.5
XLogP2.8
Topological Polar Surface Area134
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count34
Formal Charge0
Complexity808
SMILES
CC(C)(C)OC(=O)NCCCCCCNC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O
InChI
InChI=1S/C24H32N4O6/c1-24(2,3)34-23(33)26-14-7-5-4-6-13-25-16-10-8-9-15-19(16)22(32)28(21(15)31)17-11-12-18(29)27-20(17)30/h8-10,17,25H,4-7,11-14H2,1-3H3,(H,26,33)(H,27,29,30)
InChIKey
MYIJXYLTQWCASN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thalidomide-NH-C6-NH-Boc
CAS: 2093536-13-9
CID: 134559334
Formula: C24H32N4O6
MW: 472.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.5
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass472.23218475
Monoisotopic Mass472.23218475
Topological Polar Surface Area134 Ų
Heavy Atom Count34
Formal Charge0
Complexity808
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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