Cas no 169320-29-0 (Butanoicacid, 2-bromo-3-methyl-, (2R)-)

Butanoicacid, 2-bromo-3-methyl-, (2R)- structure
169320-29-0 structure
Product Name:Butanoicacid, 2-bromo-3-methyl-, (2R)-
CAS No:169320-29-0
MF:C5H9BrO2
MW:181.027761220932
CID:98375
PubChem ID:11268
Update Time:2025-04-18

Butanoicacid, 2-bromo-3-methyl-, (2R)- Chemical and Physical Properties

Names and Identifiers

    • Butanoicacid, 2-bromo-3-methyl-, (2R)-
    • (2R)-2-Bromo-3-methylbutanoic acid - N-isopropyl-2-propanamine (1 :1)
    • (R)-2-bromo-3-methylbutanoic acid (1:1) N-(1-methylethyl)-2-propanamine
    • 2-Propanamine, N-(1-methylethyl)-, nitrite
    • 2-Propanamine, nitrite
    • Diisopropyl-amin, Nitrit
    • diisopropylamine salt of (R)-2-bromo-3-methylbutyr
    • diisopropyl-amine, nitrite
    • Diisopropylammonium nitrite
    • Diisopropylammonium-nitrit
    • EINECS 252-285-8
    • N-(1-Methylethyl)-2-propanamine nitrite
    • n-isopropylpropan-2-aminium nitrite
    • V.P.I. X220
    • DTXSID30870617
    • 565-74-2
    • EINECS 209-291-0
    • InChI=1/C5H9BrO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8
    • 2-Bromo-3-methylbutyric acid
    • 2-Bromo-3-methylbutanoic acid
    • FT-0641608
    • alpha-Bromoisovaleric acid, purum, >=98.0% (GC)
    • AKOS000121095
    • B0668
    • UNII-M69LGV465C
    • 2-Bromo-3-methylbutyric acid, 97%
    • 2-bromo-3-methyl-butyric acid
    • SB47853
    • 2-Bromoisovaleric acid
    • NSC-6967
    • Bromisovaleriansaure
    • MFCD00004210
    • .ALPHA.-BROMOISOVALERIC ACID [MI]
    • Butyric acid, 2-bromo-3-methyl-
    • NSC 167
    • Chlorodiphenylmethane(benzhydryl chloride)
    • NSC167
    • 169320-29-0
    • EN300-25402
    • W-105511
    • Z203888738
    • 2-Bromo-3-methylbutyricacid
    • (+)-2-bromo-3-methylbutyric acid
    • (+/-)-.ALPHA.-BROMOISOPENTANOIC ACID
    • a-Bromoisovaleric Acid
    • SCHEMBL659682
    • AKOS022060511
    • BRN 1721146
    • AS-11032
    • SB44751
    • DL-.ALPHA.-BROMO-.BETA.-METHYLBUTYRIC ACID
    • alpha-bromo-isovaleric acid
    • Butanoic acid, 2-bromo-3-methyl-
    • AI3-21065
    • NSC6967
    • NSC-167
    • CS-0498321
    • FT-0611574
    • FT-0638637
    • NS00042359
    • M69LGV465C
    • Q27283553
    • R-2-Bromo-3-methylbutyric acid
    • SY033749
    • .alpha.-Bromoisovaleric acid
    • Isovaleric acid, .alpha.-bromo-
    • (+/-)-2-BROMO-3-METHYLBUTYRIC ACID
    • alpha-Bromoisovaleric acid
    • Inchi： 1S/C5H9BrO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)
    • InChI Key： UEBARDWJXBGYEJ-UHFFFAOYSA-N
    • SMILES： BrC(C(=O)O)C(C)C

Computed Properties

  • Exact Mass: 179.97857
  • Monoisotopic Mass: 179.97859g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 2
  • Complexity: 90.4
  • 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
  • XLogP3: 1.9
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3

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