CAS
951380-43-1 Purity
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951380-43-1 Purity
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2,5-(Dimethoxy-d6)-4-(ethylthio)phenethylamine hydrochloride
CAS
951400-18-3
Catalog Number
ACM951400183
Category
Other Products
Molecular Weight
283.85
Molecular Formula
C12H14D6ClNO2S
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Specification
Synonyms
4-(Ethylthio)-2,5-di(methoxy-d3)benzeneethanamine Hydrochloride;
4-Ethylthio-2,5-di(methoxy-d3)phenethylamine Hydrochloride;
4-Ethylthio-2,5-di(methoxy-d3)phenethylamine Hydrochloride;
IUPAC Name
2-[4-ethylsulfanyl-2,5-bis(trideuteriomethoxy)phenyl]ethanamine;hydrochloride
Canonical SMILES
CCSC1=C(C=C(C(=C1)OC)CCN)OC.Cl
InChI Key
SMKRCPGGWNAUJG-HVTBMTIBSA-N
Exact Mass
283.12800
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of 2,5-(Dimethoxy-d6)-4-(ethylthio)phenethylamine hydrochloride?
The molecular formula is C12H20ClNO2S.
When was 2,5-(Dimethoxy-d6)-4-(ethylthio)phenethylamine hydrochloride created?
It was created on 2007-06-18.
What is the molecular weight of 2,5-(Dimethoxy-d6)-4-(ethylthio)phenethylamine hydrochloride?
The molecular weight is 283.85 g/mol.
How many hydrogen bond donor counts are in 2,5-(Dimethoxy-d6)-4-(ethylthio)phenethylamine hydrochloride?
There are 2 hydrogen bond donor counts.
What is the topological polar surface area of 2,5-(Dimethoxy-d6)-4-(ethylthio)phenethylamine hydrochloride?
The topological polar surface area is 69.8 Ų.
How many rotatable bond counts are in 2,5-(Dimethoxy-d6)-4-(ethylthio)phenethylamine hydrochloride?
There are 6 rotatable bond counts.
Is the compound is canonicalized in 2,5-(Dimethoxy-d6)-4-(ethylthio)phenethylamine hydrochloride?
Yes, the compound is canonicalized.
What is the molecular formula of the parent compound of 2,5-(Dimethoxy-d6)-4-(ethylthio)phenethylamine hydrochloride?
The parent compound has CID 16096489 with the molecular formula 2-[4-Ethylsulfanyl-2,5-bis(trideuteriomethoxy)phenyl]ethanamine.
How many isotope atom counts are there in 2,5-(Dimethoxy-d6)-4-(ethylthio)phenethylamine hydrochloride?
There are 6 isotope atom counts.
What is the Canonical SMILES notation of 2,5-(Dimethoxy-d6)-4-(ethylthio)phenethylamine hydrochloride?
The Canonical SMILES notation is CCSC1=C(C=C(C(=C1)OC)CCN)OC.Cl.
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