Nitr-5

2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[hydroxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid

CAS: 109232-36-2

Molecular Formula	`C31H31N3O15`
Molecular Weight	685.6 g/mol
LogP	3.0
Topological Polar Surface Area	259.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	17
Rotatable Bonds	17
Exact Mass	685.17554
Heavy Atoms	49
Complexity	1140.0

Chemical Identifiers

CAS Number	109232-36-2
SMILES	`CC1=CC(=C(C=C1)N(CC(=O)O)CC(=O)O)OCCOC2=C(C=CC(=C2)C(C3=CC4=C(C=C3[N+](=O)[O-])OCO4)O)N(CC(=O)O)CC(=O)O`
InChIKey	`SQBFKIHOMAMLEJ-UHFFFAOYSA-N`

📖 Product Overview

Nitr-5 (CAS: 109232-36-2) is a chemical compound with molecular formula C31H31N3O15 and molecular weight 685.6 g/mol. Its IUPAC systematic name is 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-[hydroxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid. LogP 3.0 Topological Polar Surface Area 259.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 17 Rotatable Bonds 17 Exact Mass 685.17554 Heavy Atoms 49 Complexity 1140.0 InChI Key: SQBFKIHOMAMLEJ-UHFFFAOYSA-N. SMILES: CC1=CC(=C(C=C1)N(CC(=O)O)CC(=O)O)OCCOC2=C(C=CC(=C2)C(C3=CC4=C(C=C3[N+](=O)[O-])OCO4)O)N(CC(=O)O)CC(=O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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What documentation do you provide with the product?

We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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