697218-82-9 Usage
Explanation
The molecular formula represents the number of atoms of each element present in a molecule. In this case, the compound has 7 carbon (C) atoms, 16 hydrogen (H) atoms, and 2 nitrogen (N) atoms.
Explanation
The compound has a cyclohexane ring, which is a six-membered carbon ring. It contains two amine groups (-NH2) and a methyl group (-CH3) attached to the ring.
Explanation
The stereochemistry of the compound is defined by the arrangement of atoms in three-dimensional space. The (1R,2S,3S) notation indicates the specific configuration of the chiral centers at the 1st, 2nd, and 3rd carbon atoms.
Explanation
The compound is a derivative of cyclohexanediamine, which means it is structurally related to cyclohexanediamine but has additional modifications, such as the methyl group at the 3-position.
Explanation
The compound is used as a building block or intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other specialty chemicals due to its unique structure and stereochemistry.
Explanation
As with many chemicals, 1,2-Cyclohexanediamine,3-methyl, (1R,2S,3S)-(9CI) can pose risks if not handled with care. Proper safety measures and handling procedures should be followed to minimize potential hazards.
Explanation
The CAS Registry Number is a unique identifier assigned to a specific chemical compound. In this case, the 9CI number is used to identify the specific stereochemistry of the compound.
Structure
Cyclohexane ring with two amine groups and a methyl group
Stereochemistry
(1R,2S,3S)
Derivative of Cyclohexanediamine
Yes
Industrial Applications
Pharmaceutical, agrochemical, and specialty chemical synthesis
Hazardous Nature
Potentially hazardous if not handled properly
CAS Registry Number
9CI
Check Digit Verification of cas no
The CAS Registry Mumber 697218-82-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 6,9,7,2,1 and 8 respectively; the second part has 2 digits, 8 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 697218-82:
(8*6)+(7*9)+(6*7)+(5*2)+(4*1)+(3*8)+(2*8)+(1*2)=209
209 % 10 = 9
So 697218-82-9 is a valid CAS Registry Number.
697218-82-9Relevant academic research and scientific papers
Studies of the Metal Complexes of Cyclohexane Derivatives. VIII. Preparation and Properties of Platinum(II) and Cobalt(III) Complexes Containing (1R,2S,3S)- or (1S,2R,3R)-3-methyl-1,2-cyclohexanediamine
Saito, Reiko,Kidani, Yoshinori
, p. 3430 - 3436 (2007/10/02)
(1RS,2SR,3SR)-3-Methyl-1,2-cyclohexanediamine (3m-chxn), a methyl derivative of cis-1,2-cyclohexanediamine, was prepared and optically resolved.The absolute configurations of the enantiomers obtained were assigned on the basis of the Cotton effect of the trans-dichlorobis(diamine) complexes, each containing active 3m-chxn.The complexes of the 3)2L>2+, 2+, and 3>3+ types (en=1,2-ethanediamine, L=R,S,S- or S,R,R-3m-chxn) were also synthesized and characterized on the basis of their absorption, CD, and 13C NMR spectra.It has been found that the chelate rings adopted by R,S,S- and S,R,R-3m-chxn predominantly take δ and λ conformations respectively, because of the preferred equatorial orientation of the C2-C3 bond of the cyclohexane ring.The four diastereomers of 3>3+ were chromatographically isolated and assigned to fac-Λ(lel3), mer-Λ(lel3), fac-Δ(ob3), and mer-Δ(ob3).
