Home Aminos methyl 2-(3,4-diaminophenyl)acetate

methyl 2-(3,4-diaminophenyl)acetate

CAS No.:
257632-89-6
Catalog Number:
AG01DTSX
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
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Product Description
Catalog Number:
AG01DTSX
Chemical Name:
methyl 2-(3,4-diaminophenyl)acetate
CAS Number:
257632-89-6
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD18252273
IUPAC Name:
methyl 2-(3,4-diaminophenyl)acetate
InChI:
InChI=1S/C9H12N2O2/c1-13-9(12)5-6-2-3-7(10)8(11)4-6/h2-4H,5,10-11H2,1H3
InChI Key:
VHSKOTPCYHGEOK-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(c(c1)N)N
Properties
Complexity:
185  
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:
0.1  
Properties