HBED

CAT: 0127-BUP16698-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP16698-04Size:100 mg

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

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CAS Number

35998-29-9

Synonyms

CHELII, CHEL-II, CHEL II

Purity

=95%

Smiles

C(N(CCN(CC1=C(O)C=CC=C1)CC(O)=O)CC(O)=O)C2=C(O)C=CC=C2

Chemical Information

N,N'-Bis(2-hydroxybenzyl)ethylenediamine-N,N'-diacetic acid

CAS Number	35998-29-9
PubChem CID	37336
IUPAC Name	2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]acetic acid
Molecular Formula	C20H24N2O6
Molecular Weight	388.4
XLogP	-2.8
Topological Polar Surface Area	122
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	11
Heavy Atom Count	28
Formal Charge	0
Complexity	459

SMILES

C1=CC=C(C(=C1)CN(CCN(CC2=CC=CC=C2O)CC(=O)O)CC(=O)O)O

InChI

InChI=1S/C20H24N2O6/c23-17-7-3-1-5-15(17)11-21(13-19(25)26)9-10-22(14-20(27)28)12-16-6-2-4-8-18(16)24/h1-8,23-24H,9-14H2,(H,25,26)(H,27,28)

InChIKey

GRUVVLWKPGIYEG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 35998-29-9

CID: 37336

Formula: C20H24N2O6

MW: 388.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	388.4
XLogP3	-2.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	11
Exact Mass	388.16343649
Monoisotopic Mass	388.16343649
Topological Polar Surface Area	122 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	459
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
BITP1824-01	Recombinant Hepatitis B Virus HBe

Catalog	Name
sc-200817B	HBED
HY-W035520-01	HBED (dihydrochloride)
TRC-D453270-100MG	HBED Monohydrochloride Hydrate (>90%)
FH183260-01	HBED-CC-tris (tBu) ester
MBS5823888	HBED-CC-tris(tert-butyl ester)
GTR19150535-01	JR11-PEG3-HBED-CC-PSMA-03
HY-153551-01	HBED-CC-tris (tert-butyl ester)
HY-153551A-01	HBED-CC-tris (tert-butyl ester) (TFA)