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284673-06-9 | Benzoic acid, 3-amino-4-[(1-methylethyl)amino]-
CAS No: 284673-06-9 Catalog No: AG002VDT MDL No:
Product Description
Catalog Number:
AG002VDT
Chemical Name:
Benzoic acid, 3-amino-4-[(1-methylethyl)amino]-
CAS Number:
284673-06-9
Molecular Formula:
C10H14N2O2
Molecular Weight:
194.2304
IUPAC Name:
3-amino-4-(propan-2-ylamino)benzoic acid
InChI:
InChI=1S/C10H14N2O2/c1-6(2)12-9-4-3-7(10(13)14)5-8(9)11/h3-6,12H,11H2,1-2H3,(H,13,14)
InChI Key:
VGFRRQNUXQDJFF-UHFFFAOYSA-N
SMILES:
CC(Nc1ccc(cc1N)C(=O)O)C
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.106g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
194.234g/mol
Monoisotopic Mass:
194.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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