CAS
946410 Purity
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946410 Purity
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Methyl(beta,3,4-trihydroxy-alpha-methylphenethyl)ammonium chloride
CAS
946-43-0
Catalog Number
ACM946430
Category
Other Products
Molecular Weight
233.691940 [g/mol]
Molecular Formula
C10H15NO3.HCl
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Specification
Synonyms
Dioxy-ephedrin, 3,4-Dioxyephedrine, EINECS 213-421-1, 3,4-Dihydroxyephedrine hydrochloride, 10329-60-9 (Parent), CID13682, LS-42881, Methyl(beta,3,4-trihydroxy-alpha-methylphenethyl)ammonium chloride, 1-Propanol, 1-(3,4-dihydroxyphenyl)-2-methylamino-, hydrochloride, BENZYL ALCOHOL, 3,4-DIHYDROXY-alpha-(1-(METHYLAMINO)ETHYL)-, HYDROCHLORIDE, 946-43-0
IUPAC Name
[1-(3,4-dihydroxyphenyl)-1-hydroxypropan-2-yl]-methylazanium chloride
Canonical SMILES
CC(C(C1=CC(=C(C=C1)O)O)O)[NH2+]C.[Cl-]
InChI Key
HPDZIFBLRDLGFA-UHFFFAOYSA-N
Boiling Point
409.8ºC at 760mmHg
Flash Point
190ºC
EC Number
213-421-1
Exact Mass
233.08200
H-Bond Acceptor
4
H-Bond Donor
4
What is the molecular formula of Methyl(beta,3,4-trihydroxy-alpha-methylphenethyl)ammonium chloride?
The molecular formula is C10H16ClNO3.
When was Methyl(beta,3,4-trihydroxy-alpha-methylphenethyl)ammonium chloride created?
It was created on 2005-08-08.
What is the IUPAC name of Methyl(beta,3,4-trihydroxy-alpha-methylphenethyl)ammonium chloride?
The IUPAC name is [1-(3,4-dihydroxyphenyl)-1-hydroxypropan-2-yl]-methylazanium;chloride.
What is the InChIKey of Methyl(beta,3,4-trihydroxy-alpha-methylphenethyl)ammonium chloride?
The InChIKey is HPDZIFBLRDLGFA-UHFFFAOYSA-N.
What is the canonical SMILES of Methyl(beta,3,4-trihydroxy-alpha-methylphenethyl)ammonium chloride?
The canonical SMILES is CC(C(C1=CC(=C(C=C1)O)O)O)[NH2+]C.[Cl-].
What is the molecular weight of Methyl(beta,3,4-trihydroxy-alpha-methylphenethyl)ammonium chloride?
The molecular weight is 233.69 g/mol.
How many hydrogen bond donor count does Methyl(beta,3,4-trihydroxy-alpha-methylphenethyl)ammonium chloride have?
It has 4 hydrogen bond donors.
What is the exact mass of Methyl(beta,3,4-trihydroxy-alpha-methylphenethyl)ammonium chloride?
The exact mass is 233.0818711 g/mol.
How many heavy atoms are present in Methyl(beta,3,4-trihydroxy-alpha-methylphenethyl)ammonium chloride?
There are 15 heavy atoms present.
Is Methyl(beta,3,4-trihydroxy-alpha-methylphenethyl)ammonium chloride a canonicalized compound?
Yes, it is canonicalized.
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