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Structure

Sodium 3-[2-[4,5-dihydro-2-(15-methylhexadecyl)-1H-imidazol-1-yl]ethoxy]propionate

CAS
97158-48-0
Catalog Number
ACM97158480
Category
Other Products
Molecular Weight
446.642050 [g/mol]
Molecular Formula
C25H48N2O3Na

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Specification

Synonyms
EINECS 306-378-6, CID3024769, Sodium 3-(2-(4,5-dihydro-2-(15-methylhexadecyl)-1H-imidazol-1-yl)ethoxy)propionate, 97158-48-0
IUPAC Name
sodium 3-[2-[2-(15-methylhexadecyl)-4,5-dihydroimidazol-1-yl]ethoxy]propanoate
Canonical SMILES
CC(C)CCCCCCCCCCCCCCC1=NCCN1CCOCCC(=O)[O-].[Na+]
InChI Key
FSCRJUUIABKBCD-UHFFFAOYSA-M
Boiling Point
565.3ºC at 760mmHg
Flash Point
295.7ºC
EC Number
306-378-6
Exact Mass
446.34800
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of Sodium 3-[2-[4,5-dihydro-2-(15-methylhexadecyl)-1H-imidazol-1-yl]ethoxy]propionate?

The molecular formula is C25H47N2NaO3.

When was Sodium 3-[2-[4,5-dihydro-2-(15-methylhexadecyl)-1H-imidazol-1-yl]ethoxy]propionate created?

Sodium 3-[2-[4,5-dihydro-2-(15-methylhexadecyl)-1H-imidazol-1-yl]ethoxy]propionate was created on February 5, 2008.

What is the IUPAC name of Sodium 3-[2-[4,5-dihydro-2-(15-methylhexadecyl)-1H-imidazol-1-yl]ethoxy]propionate?

The IUPAC name is sodium;3-[2-[2-(15-methylhexadecyl)-4,5-dihydroimidazol-1-yl]ethoxy]propanoate.

What is the InChIKey of Sodium 3-[2-[4,5-dihydro-2-(15-methylhexadecyl)-1H-imidazol-1-yl]ethoxy]propionate?

The InChIKey is FSCRJUUIABKBCD-UHFFFAOYSA-M.

What is the molecular weight of Sodium 3-[2-[4,5-dihydro-2-(15-methylhexadecyl)-1H-imidazol-1-yl]ethoxy]propionate?

The molecular weight is 446.6 g/mol.

How many hydrogen bond acceptor counts are there in Sodium 3-[2-[4,5-dihydro-2-(15-methylhexadecyl)-1H-imidazol-1-yl]ethoxy]propionate?

There are 4 hydrogen bond acceptor counts.

What is the exact mass of Sodium 3-[2-[4,5-dihydro-2-(15-methylhexadecyl)-1H-imidazol-1-yl]ethoxy]propionate?

The exact mass is 446.34843765 g/mol.

How many rotatable bond counts are there in Sodium 3-[2-[4,5-dihydro-2-(15-methylhexadecyl)-1H-imidazol-1-yl]ethoxy]propionate?

There are 21 rotatable bond counts.

What is the topological polar surface area of Sodium 3-[2-[4,5-dihydro-2-(15-methylhexadecyl)-1H-imidazol-1-yl]ethoxy]propionate?

The topological polar surface area is 65 Ų.

Is Sodium 3-[2-[4,5-dihydro-2-(15-methylhexadecyl)-1H-imidazol-1-yl]ethoxy]propionate a canonicalized compound?

Yes, it is a canonicalized compound.

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