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

MSDS COA Spec Sheet

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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

Canonical 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

H-Bond Donor

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 Å².

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.