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

CAS
72017-55-1
Catalog Number
ACM72017551
Category
Other Products
Molecular Weight
469.368 g/mol
Molecular Formula
C19H26Cl2N8O2
MSDS COA Spec Sheet

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Specification

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
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
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