3-(Aminomethyl)-5-methylhexanoic acid

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Names

[ CAS No. ]:
128013-69-4

[ Name ]:
3-(Aminomethyl)-5-methylhexanoic acid

[Synonym ]:
3-AMINOMETHYL-5-METHYLHEXANOIC ACID
PREGABALIN
rac-Pregabalin
(+-)-3-(aminomethyl)-5-methylhexanoic acid
(R,S)-i-butyl GABA
3-(Aminomethyl)-5-methylhexanoic acid
rac-CI-1008
(RS)-3-AMINOMETHYL-5-METHYL-HEXANOIC ACID
(+/-)-Pregabalin
3-isobutyl-GABA
(RS)-3-AMINOMETHYL-5-METHYLHEXANOIC ACID
()-PREGABALIN
3-(ammoniomethyl)-5-methylhexanoate
RAC PREGABALIN
HEXANOIC ACID,3-(AMINOMETHYL)-5-METHYL-
Hexanoic acid, 3-(aminomethyl)-5-methyl-

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
274.0±23.0 °C at 760 mmHg

[ Melting Point ]:
148-150ºC

[ Molecular Formula ]:
C8H17NO2

[ Molecular Weight ]:
159.226

[ Flash Point ]:
119.5±22.6 °C

[ Exact Mass ]:
159.125931

[ PSA ]:
63.32000

[ LogP ]:
1.12

[ Vapour Pressure ]:
0.0±1.2 mmHg at 25°C

[ Index of Refraction ]:
1.465

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethyl 5-methyl-3-(nitromethyl)hexanoate
  • 3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid
  • 3-[(2-hydroxy-1-(R)-phenylethylamino)methyl]-5-methylhexanoic acid
  • (3R)-3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid

DownStream

  • Pregabalin

Related Compounds

  • 3-(Aminomethyl)-5-methylhexanoic acid
  • (S)-3-(Aminomethyl)-5-methylhexanoic acid
  • (3R)-3-(aminomethyl)-5-methylhexanoic acid
  • (S)-(+)-3-(aminomethyl)-5-methylhexanoic acid (S)-mandelate
  • tosyl-L-glutamic acid compound with (S)-3-(aminomethyl)-5-methylhexanoic acid (1:1)
  • (S)-2-hydroxy-2-phenylacetic acid compound with 3-(aminomethyl)-5-methylhexanoic acid (1:1)