Home Aminos methyl 3-methyl-4-[(propan-2-yl)amino]benzoate

methyl 3-methyl-4-[(propan-2-yl)amino]benzoate

CAS No.:
1157956-62-1
Catalog Number:
AG01ABJ0
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
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Product Description
Catalog Number:
AG01ABJ0
Chemical Name:
methyl 3-methyl-4-[(propan-2-yl)amino]benzoate
CAS Number:
1157956-62-1
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
MDL Number:
MFCD12041277
IUPAC Name:
methyl 3-methyl-4-(propan-2-ylamino)benzoate
InChI:
InChI=1S/C12H17NO2/c1-8(2)13-11-6-5-10(7-9(11)3)12(14)15-4/h5-8,13H,1-4H3
InChI Key:
NMJWHSNUDASHKI-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)C)NC(C)C
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties