Ethyl4-[2,4-diamino-6-[4-(2-chloroethyl)piperazin-4-ium-1-yl]pyrimidin-5-yl]diazenylbenzoate chloride

Catalog Number

ACM72017551

Product Name

Ethyl4-[2,4-diamino-6-[4-(2-chloroethyl)piperazin-4-ium-1-yl]pyrimidin-5-yl]diazenylbenzoate chloride

CAS

72017-55-1

Category

Heterocyclic Organic Compound

Synonyms

72017-55-1, AC1L1B7J, LS-36491, 1-(2-chloroethyl)-4-(2,6-diamino-5-{(E)-[4-(ethoxycarbonyl)phenyl]diazenyl}pyrimidin-4-yl)piperazin-1-ium chloride, Benzoic acid, p-(6-(4-(2-chloroethyl)piperazinyl)-2,4-diamino-5-pyrimidinyl)azo-, ethyl ester, hydrochloride, dihydrate, ethyl 4-[[2,4-diamino-6-[4-(2-chloroethyl)piperazin-4-ium-1-yl]pyrimidin-5-yl]diazenyl]benzoate chloride

IUPAC Name

ethyl 4-[[2,4-diamino-6-[4-(2-chloroethyl)piperazin-4-ium-1-yl]pyrimidin-5-yl]diazenyl]benzoate;chloride

Molecular Weight

469.368 g/mol

Molecular Formula

C₁₉H₂₆Cl₂N₈O₂

Canonical SMILES

CCOC(=O)C1=CC=C(C=C1)N=NC2=C(N=C(N=C2N)N)N3CC[NH+](CC3)CCCl.[Cl-]

InChI Key

JNVMWSXDXGEFJJ-UHFFFAOYSA-N

Boiling Point

709.5ºC at 760 mmHg

Flash Point

382.9ºC

Exact Mass

468.15600

H-Bond Acceptor

10

H-Bond Donor

3

MSDS

COA

Spec Sheet