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Structure

4-[[(2-Aminophenyl)methyl]amino]cyclohexyl acetate

CAS
93839-71-5
Catalog Number
ACM93839715
Category
Other Products
Molecular Weight
262.347380 [g/mol]
Molecular Formula
C13H20N2O.C2H4O2

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Specification

Synonyms
EINECS 298-842-9, CID3022550, 4-(((2-Aminophenyl)methyl)amino)cyclohexyl acetate, 93839-71-5
IUPAC Name
[4-[(2-aminophenyl)methylamino]cyclohexyl] acetate
InChI Key
VPLIJSLZFWAYSJ-UHFFFAOYSA-N
Boiling Point
405.2ºC at 760mmHg
Flash Point
198.9ºC
Density
1.11g/cm³
Exact Mass
262.16800
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of the compound with PubChem CID 3022550?

The molecular formula is C15H22N2O2.

What are the synonyms for the compound with PubChem CID 3022550?

The synonyms are 4-(((2-Aminophenyl)methyl)amino)cyclohexyl acetate, 93839-71-5, EINECS 298-842-9, and EC 298-842-9.

What is the molecular weight of the compound with PubChem CID 3022550?

The molecular weight is 262.35 g/mol.

What is the InChIKey for the compound with PubChem CID 3022550?

The InChIKey is VPLIJSLZFWAYSJ-UHFFFAOYSA-N.

How many hydrogen bond donor counts are there in the compound with PubChem CID 3022550?

There are 2 hydrogen bond donor counts.

What is the XLogP3-AA value for the compound with PubChem CID 3022550?

The XLogP3-AA value is 1.8.

How many rotatable bond counts are there in the compound with PubChem CID 3022550?

There are 5 rotatable bond counts.

What is the topological polar surface area of the compound with PubChem CID 3022550?

The topological polar surface area is 64.4 Ų.

Is the compound with PubChem CID 3022550 canonicalized?

Yes, the compound is canonicalized.

When was the compound with PubChem CID 3022550 created and last modified?

It was created on 2005-08-08 and last modified on 2023-12-30.

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