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3-Methylbutyl 3-aminobenzoate
[CAS# 742001-53-2]

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Identification
Name 3-Methylbutyl 3-aminobenzoate
Synonyms Benzoic acid, 3-amino-, 3-methylbutyl ester; isopentyl 3-aminobenzoate
Molecular Structure CAS#: 742001-53-2, 3-Methylbutyl 3-aminobenzoate
Molecular Formula C12H17NO2
Molecular Weight 207.27
CAS Registry Number 742001-53-2
SMILES CC(C)CCOC(=O)c1cccc(c1)N
InChI 1S/C12H17NO2/c1-9(2)6-7-15-12(14)10-4-3-5-11(13)8-10/h3-5,8-9H,6-7,13H2,1-2H3
InChIKey VYLQTAQLGFRYBN-UHFFFAOYSA-N
Properties
Density 1.057g/cm3 (Cal.)
Boiling point 330.706°C at 760 mmHg (Cal.)
Flash point 180.102°C (Cal.)
Refractive index 1.532 (Cal.)
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