Home Aminos methyl 4-amino-3-ethylbenzoate

methyl 4-amino-3-ethylbenzoate

CAS No.:
153304-75-7
Catalog Number:
AG01BTHX
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
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Product Description
Catalog Number:
AG01BTHX
Chemical Name:
methyl 4-amino-3-ethylbenzoate
CAS Number:
153304-75-7
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD00230305
IUPAC Name:
methyl 4-amino-3-ethylbenzoate
InChI:
InChI=1S/C10H13NO2/c1-3-7-6-8(10(12)13-2)4-5-9(7)11/h4-6H,3,11H2,1-2H3
InChI Key:
BUHJYJUFJWHZKI-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)CC)N
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties