Reaction Mass Of N,n-diethylpropane-1,3-diamine 6-methyl-2-(4-(2,4,6-triaminopyrimidin-5-ylazo)phenyl)benzothiazole-7-sulfonate And 2,2-iminodiethanol 6-methyl-2-(4-(2,4,6-triaminopyrimidin-5-ylazo)phenyl)benzothiazole-7-sulfonate And 2-methylaminoethanol 6-methyl-2-(4-(2,4,6-triaminopyrimidin-5-ylazo)phenyl)benzothiazole-7-sulfonate

1,3-Propanediamine, N,N-diethyl-, compd. with 2,2′-iminobis[ethanol] and 2-(methylamino)ethanol 6-methyl-2-[4-[(2,4,6-triamino-5-pyrimidinyl)azo]phenyl]-7-benzothiazolesulfonate (salt)
7-Benzothiazolesulfonic acid, 6-methyl-2-[4-[(2,4,6-triamino-5-pyrimidinyl)azo]phenyl]-, compd. with N,N-diethyl-1,3-propanediamine and 2,2′-iminobis[ethanol] and 2-(methylamino)ethanol
Ethanol, 2,2′-iminobis-, compd. with N,N-diethyl-1,3-propanediamine and 2-(methylamino)ethanol 6-methyl-2-[4-[(2,4,6-triamino-5-pyrimidinyl)azo]phenyl]-7-benzothiazolesulfonate (salt)
Ethanol, 2-(methylamino)-, compd. with N,N-diethyl-1,3-propanediamine and 2,2′-iminobis[ethanol] 6-methyl-2-[4-[(2,4,6-triamino-5-pyrimidinyl)azo]phenyl]-7-benzothiazolesulfonate

Property	Value
InChI2D key string chemrof:inchi2d_key_string	CTQCNKZMYYSKOK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C18H16N8O3S2.C7H18N2.C4H11NO2.C3H9NO/c1-8-2-7-11-13(14(8)31(27,28)29)30-17(22-11)9-3-5-10(6-4-9)25-26-12-15(19)23-18(21)24-16(12)20;1-3-9(4-2)7-5-6-8;6-3-1-5-2-4-7;1-4-2-3-5/h2-7H,1H3,(H,27,28,29)(H6,19,20,21,23,24);3-8H2,1-2H3;5-7H,1-4H2;4-5H,2-3H2,1H3
IUPAC name chemrof:IUPAC_name	7-Benzothiazolesulfonic acid, 6-methyl-2-[4-[(2,4,6-triamino-5-pyrimidinyl)azo]phenyl]-, compd. with N,N-diethyl-1,3-propanediamine and 2,2′-iminobis[ethanol] and 2-(methylamino)ethanol
Molecular formula chemrof:molecular_formula	C32H54N12O6S2
Molecular mass chemrof:molecular_mass	766.996
Monoisotopic mass chemrof:monoisotopic_mass	766.373069
SMILES string chemrof:smiles_string	CCN(CC)CCCN.CNCCO.Cc1ccc2nc(-c3ccc(N=Nc4c(N)nc(N)nc4N)cc3)sc2c1S(=O)(=O)O.OCCNCCO

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=114565-65-0	enrich_references.consensus_cas_link

Flow	Context	Source	Unit	CFs
60f2bf33-0e63-4885-823a-27eaecfcf3b2	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
0e136f4f-36c5-4a40-9483-188d60a2f4de	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
df2bf077-8402-4175-a4cb-6a3612e22e96	Environmental → Air → Indoor	EF 3.1	kg	2
b0281e58-f760-4446-9d7d-5e8f44f0707e	Environmental → Air → Long-term	EF 3.1	kg	0
ffb25b62-b2fa-4113-8b56-8df8e84e7df6	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
5eaa5a57-156c-40b2-ad9a-32e9dbd5fab2	Environmental → Air → Unknown	EF 3.1	kg	2
cf830c90-2b80-4b83-8b51-d8db3ea15fa6	Environmental → Ground → Agricultural	EF 3.1	kg	2
7fe7a232-1974-407a-b254-291930766e6c	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
9b5541dc-9d5b-4b79-93b7-1c011ce40182	Environmental → Ground → Unknown	EF 3.1	kg	2
f2b93fd1-49b2-455c-9319-670d68d1de4a	Environmental → Water → Long-term	EF 3.1	kg	0
9949cb4b-d012-42be-ad42-e06becb57956	Environmental → Water → Ocean	EF 3.1	kg	2
7fcd6eee-6916-429b-a6db-9ce072d05229	Environmental → Water → Surface water	EF 3.1	kg	2
980287c0-669e-45f7-990a-3721fc3b9f2c	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (53 changes)

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Flow object JSON

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