Home Aminos Ethyl 3,5-diaminobenzoate

Ethyl 3,5-diaminobenzoate

CAS No.:
1949-51-5
Catalog Number:
AG00AP4Y
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$199
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Product Description
Catalog Number:
AG00AP4Y
Chemical Name:
Ethyl 3,5-diaminobenzoate
CAS Number:
1949-51-5
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD00017104
IUPAC Name:
ethyl 3,5-diaminobenzoate
InChI:
InChI=1S/C9H12N2O2/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5H,2,10-11H2,1H3
InChI Key:
IDLVQOMJOKNXSL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(N)cc(c1)N
EC Number:
217-762-7
Properties
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties