Cas no 181289-15-6 (3-Carbamoymethyl-5-methylhexanoic acid)

3-Carbamoymethyl-5-methylhexanoic acid structure
181289-15-6 structure
Product Name:3-Carbamoymethyl-5-methylhexanoic acid
CAS No:181289-15-6
MF:C9H17NO3
MW:187.236182928085
MDL:MFCD08457698
CID:66176
PubChem ID:10867083
Update Time:2025-12-05

3-Carbamoymethyl-5-methylhexanoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid
    • (±)-3-(Carbamoymethyl)-5-methylhexanoic acid
    • Racemic 3-(2-Amino-2-oxoethyl)-5-methyl hexanoic acid
    • (±)-3-(AMIOMETHYL)-5-METHYLHEXANOIC ACID
    • (±)-3-(carbamoylmethyl)-5-methylhexanoic acid
    • (3S)-3-(2-Amino-2-oxo-ethyl)-5-methyl-hexanoic acid
    • 3-Carbamoymethyl-5-methylhexanoic acid
    • 3-(carbamoylmethyl)-5-methylhexanoic acid
    • 3-carbamoylmethyl-5-methyl-hexanoic acid
    • 3-iso-butyl-glutaric acid monoamide
    • 3-Carbamoymethyl-5-m
    • Pregabalin intermediate
    • rac-Pregabalin Impurity III
    • ()-3-(AMIOMETHYL)-5-METHYLHEXANOIC ACID
    • 3-(2-Amino-2-oxoethyl)-5-methylhexanoic
    • (2-aMino-2-oxoethyl)-5-Methylhexanoic acid
    • Hexanoic acid, 3-(2-aMino-2-oxoethyl)-5-Methyl-
    • ( inverted exclamation markA)-3-(Carbamoymethyl)-5-methylhexanoic acid
    • (+/-)-3-(Carbamoylmethyl)-5-methylhexanoic acid
    • PubChem15303
    • KSC914K6J
    • Jsp003715
    • NPDKTSLVWGFPQG-UHFFFAOYSA-N
    • BCP14082
    • CC
    • 3-Carbamoymethyl-5-methylhexanoic acid (Pregabalin)
    • 3-(Carbamoylmethyi-5-methyl hexanoic acid
    • ( inverted exclamation markA)-3-(Carbamoylmethyl)-5-methylhexanoicacid
    • A812604
    • MFCD08457698
    • SB44410
    • FT-0696295
    • 3-(2-Amino-2-oxoethyl)-5-methylhexanoicacid
    • SY102936
    • EN300-7417174
    • 3-(2-amino-2-oxoethyl)-5-methyl-hexanoic acid
    • MFCD09028111
    • AM84634
    • ( inverted exclamation markA)-3-(carbamoylmethyl)-5-methylhexanoic acid
    • 3-?(2-?Amino-?2-?oxoethyl)?-?5-?methylhexanoic Acid
    • CS-0154068
    • FT-0648924
    • 181289-15-6
    • A1-00280
    • FT-0651253
    • AKOS006289231
    • SCHEMBL664076
    • DTXSID60446389
    • PD065656
    • AS-15327
    • Pregabalin Impurity 10
    • SY046614
    • AC-7772
    • NS00003780
    • A3287
    • MDL: MFCD08457698
    • Inchi: 1S/C9H17NO3/c1-6(2)3-7(4-8(10)11)5-9(12)13/h6-7H,3-5H2,1-2H3,(H2,10,11)(H,12,13)
    • InChI Key: NPDKTSLVWGFPQG-UHFFFAOYSA-N
    • SMILES: OC(CC(CC(N)=O)CC(C)C)=O

Computed Properties

  • Exact Mass: 187.12100
  • Monoisotopic Mass: 187.12084340g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 6
  • Complexity: 189
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 80.4
  • XLogP3: 0.7

Experimental Properties

  • Color/Form: No data available
  • Density: 1.131
  • Melting Point: 132.0 to 136.0 deg-C
  • Boiling Point: 401.9±28.0 °C at 760 mmHg
  • Flash Point: 196.9±24.0 °C
  • Refractive Index: 1.475
  • PSA: 80.39000
  • LogP: 1.69910

3-Carbamoymethyl-5-methylhexanoic acid Customs Data

  • HS CODE:2924199090
  • Customs Data:

    China Customs Code:

    2924199090

    Overview:

    2924199090. Other acyclic amides(Including acyclic carbamates)(Including its derivatives and salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

3-Carbamoymethyl-5-methylhexanoic acid Pricemore >>

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3-Carbamoymethyl-5-methylhexanoic acid Production Method

3-Carbamoymethyl-5-methylhexanoic acid Suppliers

Shanghai Jinhuan Chemical CO., LTD.
Gold Member
Audited Supplier Audited Supplier
(CAS:181289-15-6)(±)-3-(Carbamoymethyl)-5-methylhexanoic acid
Order Number:JH076;JH277
Stock Status:in Stock
Quantity:25kg
Purity:98.00%
Pricing Information Last Updated:Monday, 8 January 2024 17:37
Price ($): negotiated
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:181289-15-6)3-(氨甲酰甲基)-5-甲基己酸
Order Number:LE5737739;LE17939
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:45
Price ($):discuss personally

3-Carbamoymethyl-5-methylhexanoic acid Spectrogram

LC-MS
LC-MS
1H NMR 300 MHz DMSO
1H NMR
13C NMR
13C NMR
Recommended suppliers
Shanghai Jinhuan Chemical CO., LTD.
(CAS:181289-15-6)(±)-3-(Carbamoymethyl)-5-methylhexanoic acid
JH076;JH277
Purity:98.00%/98.00%
Quantity:25kg/25kg
Price ($):Inquiry/Inquiry
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:181289-15-6)3-(氨甲酰甲基)-5-甲基己酸
LE5737739;LE17939
Purity:99%/99%
Quantity:25KG,200KG,1000KG/25KG,200KG,1000KG
Price ($):Inquiry/Inquiry
Email