2-[[[2-[(Hydroxymethyl)[2-[(1-oxoisononyl)amino]ethyl]amino]ethyl]amino]carbonyl]benzoic acid

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Catalog Number

ACM100063567

Product Name

Structure

CAS

100063-56-7

Category

Heterocyclic Organic Compound

Synonyms

EINECS 309-120-0, CID113542, 2-(((2-((Hydroxymethyl)(2-((1-oxoisononyl)amino)ethyl)amino)ethyl)amino)carbonyl)benzoic acid, 100063-56-7

IUPAC Name

2-[2-[hydroxymethyl-[2-(7-methyloctanoylamino)ethyl]amino]ethylcarbamoyl]benzoic acid

Molecular Weight

421.530400 [g/mol]

Molecular Formula

C₂₂H₃₅N₃O₅

Canonical SMILES

CC(C)CCCCCC(=O)NCCN(CCNC(=O)C1=CC=CC=C1C(=O)O)CO

InChI Key

KXWBMYVIQBCGJO-UHFFFAOYSA-N

Boiling Point

676.6ºC at 760mmHg

Flash Point

363ºC

Density

1.145g/cm³

EC Number

309-120-0

Exact Mass

421.25800

H-Bond Acceptor

H-Bond Donor

MSDS

COA

Spec Sheet

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