PTAD-amine

CAT: 0127-BIPG2375-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BIPG2375-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2279944-70-4

Purity

≥95%

Smiles

COC1=C (C=CC (=C1) N2C (=O) NNC2=O) OCCN

Chemical Information

PTDA-amine

CAS Number	2279944-70-4
PubChem CID	137334067
IUPAC Name	4-[4-(2-aminoethoxy)-3-methoxyphenyl]-1,2,4-triazolidine-3,5-dione
Molecular Formula	C11H14N4O4
Molecular Weight	266.25
XLogP	-0.3
Topological Polar Surface Area	106
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	19
Formal Charge	0
Complexity	336

SMILES

COC1=C(C=CC(=C1)N2C(=O)NNC2=O)OCCN

InChI

InChI=1S/C11H14N4O4/c1-18-9-6-7(2-3-8(9)19-5-4-12)15-10(16)13-14-11(15)17/h2-3,6H,4-5,12H2,1H3,(H,13,16)(H,14,17)

InChIKey

KDARNQJCXHBXSI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2279944-70-4

CID: 137334067

Formula: C11H14N4O4

MW: 266.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	266.25
XLogP3	-0.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	266.10150494
Monoisotopic Mass	266.10150494
Topological Polar Surface Area	106 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	336
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
MBS5771501	PTAD-PEG4-amine
HY-W016748-01	PTAD
T18642-01	PTAD-PEG4-alkyne
MBS5771502	PTAD-PEG4-N3
GTR19250173-01	PTAD-PEG8-azide
HY-164928-01	PTAD-PEG8-alkyne
O236515	pre-Calcitriol PTAD Adduct
TRC-P755250-25MG	Pro-Calcitriol PTAD Adduct
TRC-A524010-50MG	pre-Alfacalcidol PTAD Adduct
TRC-C144520-1MG	pre-Calcitriol PTAD Adduct (Mixture of Diastereomers)