Home Aminos Methyl 2,3-diamino-6-methylbenzoate

Methyl 2,3-diamino-6-methylbenzoate

CAS No.:
258508-85-9
Catalog Number:
AG00IM5A
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
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Product Description
Catalog Number:
AG00IM5A
Chemical Name:
Methyl 2,3-diamino-6-methylbenzoate
CAS Number:
258508-85-9
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
MDL Number:
MFCD20701524
IUPAC Name:
methyl 2,3-diamino-6-methylbenzoate
InChI:
InChI=1S/C9H12N2O2/c1-5-3-4-6(10)8(11)7(5)9(12)13-2/h3-4H,10-11H2,1-2H3
InChI Key:
HFBDZYFGBQLJEH-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)ccc(c1N)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:
1.3  
Properties