Home Aminos Methyl 4-amino-3-(butylamino)benzoate

Methyl 4-amino-3-(butylamino)benzoate

CAS No.:
597562-39-5
Catalog Number:
AG00EKQS
Molecular Formula:
C12H18N2O2
Molecular Weight:
222.2835
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$188
- +
5g
98%
In Stock USA
United States
$563
- +
10g
98%
In Stock USA
United States
$988
- +
25g
98%
In Stock USA
United States
$1988
- +
Product Description
Catalog Number:
AG00EKQS
Chemical Name:
Methyl 4-amino-3-(butylamino)benzoate
CAS Number:
597562-39-5
Molecular Formula:
C12H18N2O2
Molecular Weight:
222.2835
MDL Number:
MFCD23135902
IUPAC Name:
methyl 4-amino-3-(butylamino)benzoate
InChI:
InChI=1S/C12H18N2O2/c1-3-4-7-14-11-8-9(12(15)16-2)5-6-10(11)13/h5-6,8,14H,3-4,7,13H2,1-2H3
InChI Key:
SXOVLCJDICCMPF-UHFFFAOYSA-N
SMILES:
CCCCNc1cc(ccc1N)C(=O)OC
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.137g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
222.288g/mol
Monoisotopic Mass:
222.137g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties