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Structure

[(4-Dodecylphenyl)methyl]guanidinium monoacetate

CAS
94094-61-8
Catalog Number
ACM94094618
Category
Other Products
Molecular Weight
377.563960 [g/mol]
Molecular Formula
C20H35N3.C2H4O2

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Specification

Synonyms
((4-Dodecylphenyl)methyl)guanidinium monoacetate, 94094-61-8, CTK3I7539, EINECS 302-163-6
IUPAC Name
carbamimidoyl-[(4-dodecylphenyl)methyl]azanium;acetate
Canonical SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)C[NH2+]C(=N)N.CC(=O)[O-]
InChI Key
IWCLQZGFYRNLIZ-UHFFFAOYSA-N
Boiling Point
536.5ºC at 760 mmHg
Flash Point
278.3ºC
EC Number
302-163-6
Exact Mass
377.30400
H-Bond Acceptor
3
H-Bond Donor
3
What is the molecular formula of [(4-Dodecylphenyl)methyl]guanidinium monoacetate?

The molecular formula is C22H39N3O2.

When was [(4-Dodecylphenyl)methyl]guanidinium monoacetate created?

It was created on 2009-08-20.

What is the IUPAC Name of [(4-Dodecylphenyl)methyl]guanidinium monoacetate?

The IUPAC Name is carbamimidoyl-[(4-dodecylphenyl)methyl]azanium;acetate.

What is the InChIKey of [(4-Dodecylphenyl)methyl]guanidinium monoacetate?

The InChIKey is IWCLQZGFYRNLIZ-UHFFFAOYSA-N.

How many hydrogen bond donor counts are there in [(4-Dodecylphenyl)methyl]guanidinium monoacetate?

There are 3 hydrogen bond donor counts.

What is the exact mass of [(4-Dodecylphenyl)methyl]guanidinium monoacetate?

The exact mass is 377.30422750 g/mol.

How many rotatable bond counts are there in [(4-Dodecylphenyl)methyl]guanidinium monoacetate?

There are 14 rotatable bond counts.

What is the topological polar surface area of [(4-Dodecylphenyl)methyl]guanidinium monoacetate?

The topological polar surface area is 107 Ų.

How many heavy atom counts are there in [(4-Dodecylphenyl)methyl]guanidinium monoacetate?

There are 27 heavy atom counts.

Is the compound canonicalized for [(4-Dodecylphenyl)methyl]guanidinium monoacetate?

Yes, the compound is canonicalized.

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