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5-[(2-aminoethyl)amino]-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione

HCID 178761982
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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
2307476-92-0
Standard SMILES
NCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIKey
RUNFSAURBYYTMD-UHFFFAOYSA-N
Molecular formula
C15H16N4O4
Average molar mass
316.31 g/mol

Names & identifiers

Preferred name
5-[(2-aminoethyl)amino]-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione
IUPAC
5-(2-aminoethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
English name
1H-Isoindole-1,3(2H)-dione, 5-[(2-aminoethyl)amino]-2-(2,6-dioxo-3-piperidinyl)-
Molecular formula
C15H16N4O4
Molecular weight
316.31

Names & synonyms

2307476-92-05-[(2-aminoethyl)amino]-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione5-((2-aminoethyl)amino)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione5-[(2-Aminoethyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dioneCHEMBL1186712SCHEMBL20231165SCHEMBL29403011ALBB-037053MFCD34570919SY570142EN300-333707485-(2-aminoethylamino)-2-(2,6-dioxo-3-piperidyl)isoindoline-1,3-dione
Show more names
Thalidomide-5-NH-C2-NH25-[(2-aminoethyl)amino]-2-(2,6-dioxo-3-piperidinyl)-1H-Isoindole-1,3(2H)-dione,1H-Isoindole-1,3(2H)-dione, 5-[(2-aminoethyl)amino]-2-(2,6-dioxo-3-piperidinyl)-
5-(2-aminoethylamino)-2-[(3S)-2,6-dioxo-3-piperidyl]isoindoline-1,3-dione1130688-14-0

Database identifiers

Properties

Computed structural properties

XLogP
-0.6
Topological polar surface area
122 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
23
Formal charge
0
Complexity
550

Physicochemical properties

Boiling point
644 · 644.0±55.0 °C(Predicted)
Density
1.496 · 1.496±0.06 g/cm3(Predicted)
pka
10.8 · 10.80±0.40(Predicted)

Chemistry & industry

Suppliers11 total

南京优氟医药科技有限公司025-86755008 17751752005 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
大赛璐药物手性技术(上海)有限公司021-50460086-9 15921403865 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
上海逐耀医药科技有限公司18321033991 · [email protected]
上海超岚化工科技中心QQ:65489617 13301690235 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
吉林省沃达生物科技有限公司13504435624 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
南京优氟医药科技有限公司025-86755008 17751752005 · [email protected]
河南伊诺凯新材料有限公司15090072163 · [email protected]

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
CAS
2307476-92-0
ChEMBL
CHEMBL1186712