Thalidomide-1-Me-5-NH2

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CAS Number

1468761-60-5

Purity

98%

Smiles

O=C1N(C(CC2)C(N(C)C2=O)=O)C(C3=C1C=CC(N)=C3)=O

Chemical Information

5-Amino-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione

CAS Number	1468761-60-5
PubChem CID	65963054
IUPAC Name	5-amino-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular Formula	C14H13N3O4
Molecular Weight	287.27
XLogP	-0.4
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	21
Formal Charge	0
Complexity	532

SMILES

CN1C(=O)CCC(C1=O)N2C(=O)C3=C(C2=O)C=C(C=C3)N

InChI

InChI=1S/C14H13N3O4/c1-16-11(18)5-4-10(14(16)21)17-12(19)8-3-2-7(15)6-9(8)13(17)20/h2-3,6,10H,4-5,15H2,1H3

InChIKey

HLLSZPFRPIBHKB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1468761-60-5

CID: 65963054

Formula: C14H13N3O4

MW: 287.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	287.27
XLogP3	-0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	287.09060590
Monoisotopic Mass	287.09060590
Topological Polar Surface Area	101 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	532
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BI12245-01	Thalidomide-1-Me,5-F
OR1041517	Thalidomide-5-CH2-NH2 (hydrochloride)
BUP01727-01	Thalidomide-5-NH2-CH2-COOH
BIPG2356-01	Thalidomide-5-NH2-CH2-COOH
BIPG2446-01	Thalidomide-5-propargyne-NH2, HCl salt
OR1031740-01	Thalidomide-PEG2-C2-NH2 (hydrochloride)
BUP11472-01	Thalidomide-O-C4-NH2 hydrochloride
BUP02195	Thalidomide-NH-C6-NH2 hydrochloride
BUP03374-01	Thalidomide-NH-PEG1-NH2 hydrochloride
BUP10167	Thalidomide-O-C6-NH2 hydrochloride

Catalog	Name
HY-W586821-01	Thalidomide-1-Me-5-NH2
T201588-01	Me-Thalidomide-O-C8-NH2
GTR19240319-01	N-Me-Thalidomide-NH-C6-NH2
GTR19258564-01	Thalidomide-1-Me,5-F
HY-138786	Thalidomide-5-PEG3-NH2
HY-138785	Thalidomide-5-PEG4-NH2
HY-148872-01	Thalidomide-5-NH2-C8-NH2 (TFA)
MBS5819649	Thalidomide-5-PEG7-NH2 hydrochloride
MBS5819648	Thalidomide-5-PEG6-NH2 hydrochloride
C02072-5mg	Thalidomide-5-NH2-CH2-COOH