Isobutyl 3,5-diamino-4-chloro benzoate

CAS	32961-44-7
Structure
Synonyms	3,5-Diamino-4-chioro benzoic acid -2-methylpropyl ester
IUPAC Name	2-Methylpropyl 3,5-diamino-4-chlorobenzoate
Molecular Weight	242.7
Canonical SMILES	CC(C)COC(=O)C1=CC(=C(C(=C1)N)Cl)N
InChI	InChI=1S/C11H15ClN2O2/c1-6(2)5-16-11(15)7-3-8(13)10(12)9(14)4-7/h3-4,6H,5,13-14H2,1-2H3
InChI Key	KHUIRIRTZCOEMK-UHFFFAOYSA-N
Boiling Point	390.1±37.0 °C
Melting Point	86-90 °C
Purity	95%+
Density	1.252±0.06 g/cm³
Exact Mass	242.0822054
Monoisotopic Mass	242.0822054
Storage Conditions	Inert atmosphere,2–8 °C
Topological Polar Surface Area	78.3 Ų