sales@angenesci.com
Login | Register
logo
Structures Search
Home Aminos Methyl 4-amino-3-methylbenzoate

Methyl 4-amino-3-methylbenzoate

CAS No.:
18595-14-7
Catalog Number:
AG003578
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$24
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$275
- +
Product Description
Catalog Number:
AG003578
Chemical Name:
Methyl 4-amino-3-methylbenzoate
CAS Number:
18595-14-7
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD00102230
IUPAC Name:
methyl 4-amino-3-methylbenzoate
InChI:
InChI=1S/C9H11NO2/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5H,10H2,1-2H3
InChI Key:
ZHIPSMIKSRYZFV-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)C)N
EC Number:
606-066-2
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Methyl 4-amino-3-methyl-benzoate. Acta crystallographica. Section E, Structure reports online 20080501
Methyl 4-(butyrylamino)-5-methyl-2-nitro-benzoate. Acta crystallographica. Section E, Structure reports online 20080401
Properties