CAS
95453-60-4 Purity
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95453-60-4 Purity
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N1,N1-dimethyl-1-(3-methyl-2-thienyl)-1,2-ethanediamine x1HCl
CAS
954573-16-1
Catalog Number
ACM954573161
Category
Other Products
Molecular Weight
184.31
Molecular Formula
C9H17ClN2S
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Specification
Synonyms
N-[2-amino-1-(3-methylthien-2-yl)ethyl]-N,N-dimethylamine hydrochloride, 954573-16-1, CTK7E3123, AKOS015847992, AG-B-34701, MCULE-8050281716, [2-amino-1-(3-methylthiophen-2-yl)ethyl]dimethylamine hydrochloride
IUPAC Name
N,N-dimethyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine;hydrochloride
SMILES
CC1=C(SC=C1)C(CN)N(C)C
InChI Key
RCXCOPZAWWQVGR-UHFFFAOYSA-N
Boiling Point
246.3ºC at 760 mmHg
Flash Point
102.8ºC
Density
1.067g/cm³
Exact Mass
184.10300
H-Bond Acceptor
3
H-Bond Donor
2
What is the molecular formula of N1,N1-dimethyl-1-(3-methyl-2-thienyl)-1,2-ethanediamine x1HCl?
The molecular formula is C9H16N2S.
What are some synonyms for N1,N1-dimethyl-1-(3-methyl-2-thienyl)-1,2-ethanediamine x1HCl?
Some synonyms include 954573-16-1, N,N-dimethyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine, and N-[2-amino-1-(3-methylthien-2-yl)ethyl]-N,N-dimethylamine.
What is the molecular weight of N1,N1-dimethyl-1-(3-methyl-2-thienyl)-1,2-ethanediamine x1HCl?
The molecular weight is 184.30 g/mol.
What is the IUPAC name of N1,N1-dimethyl-1-(3-methyl-2-thienyl)-1,2-ethanediamine x1HCl?
The IUPAC name is N,N-dimethyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine.
What is the InChI key for N1,N1-dimethyl-1-(3-methyl-2-thienyl)-1,2-ethanediamine x1HCl?
The InChI key is XSHCJTMLKPDFJK-UHFFFAOYSA-N.
What is the Canonical SMILES representation of N1,N1-dimethyl-1-(3-methyl-2-thienyl)-1,2-ethanediamine x1HCl?
The Canonical SMILES is CC1=C(SC=C1)C(CN)N(C)C.
How many hydrogen bond donor counts does N1,N1-dimethyl-1-(3-methyl-2-thienyl)-1,2-ethanediamine x1HCl have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of N1,N1-dimethyl-1-(3-methyl-2-thienyl)-1,2-ethanediamine x1HCl?
The topological polar surface area is 57.5 Ų.
How many rotatable bond counts does N1,N1-dimethyl-1-(3-methyl-2-thienyl)-1,2-ethanediamine x1HCl have?
It has 3 rotatable bond counts.
Is N1,N1-dimethyl-1-(3-methyl-2-thienyl)-1,2-ethanediamine x1HCl considered a canonicalized compound?
Yes, it is considered canonicalized.
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