Home Other Building Blocks Cyclohexylamine benzoate

Cyclohexylamine benzoate

CAS No.:
3129-92-8
Catalog Number:
AG00BXME
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$155
- +
5g
98%
In Stock USA
United States
$433
- +
Product Description
Catalog Number:
AG00BXME
Chemical Name:
Cyclohexylamine benzoate
CAS Number:
3129-92-8
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
MDL Number:
MFCD01744678
IUPAC Name:
benzoic acid;cyclohexanamine
InChI:
InChI=1S/C7H6O2.C6H13N/c8-7(9)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6/h1-5H,(H,8,9);6H,1-5,7H2
InChI Key:
CIFYUXXXOJJPOL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1.NC1CCCCC1
EC Number:
221-516-4
NSC Number:
211025
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.142g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties