Cas no 261896-36-0 ((3R,4R)-rel-4-Isopropylpyrrolidine-3-carboxylic acid)

(3R,4R)-rel-4-Isopropylpyrrolidine-3-carboxylic acid structure
261896-36-0 structure
Product Name:(3R,4R)-rel-4-Isopropylpyrrolidine-3-carboxylic acid
CAS No:261896-36-0
MF:C8H15NO2
MW:157.210202455521
CID:67317
PubChem ID:9793887
Update Time:2025-04-18

(3R,4R)-rel-4-Isopropylpyrrolidine-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • (3R,4R)-4-Isopropylpyrrolidine-3-carboxylic acid
    • (+/-)-trans-4-isopropyl-pyrrolidine-3-carboxylic acid
    • 3-PYRROLIDINECARBOXYLICACID,4-(1-METHYLETHYL)-,(3R,4R)-REL-(9CI)
    • (3R,4R)-4-(propan-2-yl)pyrrolidine-3-carboxylic acid
    • 3-pyrrolidinecarboxylic acid, 4-(1-methylethyl)-, (3R,4R)-
    • CS-0035057
    • (+/-)-trans-4-Isopropyl-pyrrolidine-3-carboxylicacid
    • (3R,4R)-4-isopropylpyrrolidine-3-carboxylic acid (trans)
    • (3R,4R)-4-propan-2-ylpyrrolidine-3-carboxylic acid
    • 3-Pyrrolidinecarboxylic acid, 4-(1-methylethyl)-, (3R,4R)-rel-
    • AKOS026670369
    • MFCD15142765
    • CS-15582
    • CS-WAA0183
    • (3R,4R)-4-ISOPROPYLPYRROLIDINE-3-CARBOXYLICACID
    • SCHEMBL1815567
    • 1260596-99-3
    • 261896-36-0
    • (3R,4R)-rel-4-Isopropylpyrrolidine-3-carboxylic acid
    • A5196
    • F15044
    • DB-257682
    • Inchi： 1S/C8H15NO2/c1-5(2)6-3-9-4-7(6)8(10)11/h5-7,9H,3-4H2,1-2H3,(H,10,11)/t6-,7+/m1/s1
    • InChI Key： NQULSPPHDFWDLL-RQJHMYQMSA-N
    • SMILES： OC([C@H]1CNC[C@@H]1C(C)C)=O

Computed Properties

  • Exact Mass: 157.11000
  • Monoisotopic Mass: 157.11
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 156
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 49.3A^2
  • XLogP3: -1.6

Experimental Properties

  • Density: 1.054
  • Boiling Point: 270.829°C at 760 mmHg
  • Flash Point: 117.594°C
  • Refractive Index: 1.472
  • PSA: 49.33000
  • LogP: 0.89140
  • Vapor Pressure: 0.0±1.2 mmHg at 25°C

(3R,4R)-rel-4-Isopropylpyrrolidine-3-carboxylic acid Security Information

(3R,4R)-rel-4-Isopropylpyrrolidine-3-carboxylic acid Pricemore >>

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