Home Aminos methyl 3,4-diamino-5-methylbenzoate

methyl 3,4-diamino-5-methylbenzoate

CAS No.:
668276-43-5
Catalog Number:
AG01AUOQ
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
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Product Description
Catalog Number:
AG01AUOQ
Chemical Name:
methyl 3,4-diamino-5-methylbenzoate
CAS Number:
668276-43-5
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD16036713
IUPAC Name:
methyl 3,4-diamino-5-methylbenzoate
InChI:
InChI=1S/C9H12N2O2/c1-5-3-6(9(12)13-2)4-7(10)8(5)11/h3-4H,10-11H2,1-2H3
InChI Key:
PWBQQBYVZKTMOV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C)c(c(c1)N)N
Properties
Complexity:
196  
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:
2  
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties