Cas no 541-46-8 (Isovaleramide)

Isovaleramide structure
Isovaleramide structure
Product Name:Isovaleramide
CAS No:541-46-8
MF:C5H11NO
MW:101.146941423416
MDL:MFCD00014807
CID:38191
PubChem ID:10930
Update Time:2025-04-18

Isovaleramide Chemical and Physical Properties

Names and Identifiers

    • 3-Methylbutanamide
    • ISOVALERAMIDE
    • 3-methylbutaneamide
    • 3-methylbutylamide
    • 3-Methylbutyramide
    • Butanamide,3-methyl
    • dimethyl propionamide
    • dimethyl propionic acid amide
    • Isopentanamide
    • Isovaleric acid amide
    • Isovaleric amide
    • NPS 1776
    • Butanamide, 3-methyl-
    • beta-Methylbutyramide
    • Isovaleramide [USAN]
    • NFS1776
    • .beta.-Methylbutyramide
    • 9CP4KB634M
    • SANOUVWGPVYVAV-UHFFFAOYSA-N
    • Isovaleramide (USAN)
    • HMS3652O16
    • HMS3264B03
    • NPS-1
    • ISOVALERAMIDE [MI]
    • SCHEMBL9641
    • AB01563345_02
    • NSC-760408
    • Z33546511
    • NFS-1776
    • J-512895
    • Q6086595
    • NSC402555
    • NSC-402555
    • s4116
    • MFCD00014807
    • BDBM50224817
    • FT-0627531
    • BRN 1740789
    • HY-B1229
    • BCP05941
    • C75541
    • D04637
    • A870532
    • CHEMBL171066
    • TRIMETHYLENEDI(THIOTOSYLATE)
    • 541-46-8
    • CCG-213627
    • AKOS008937702
    • UNII-9CP4KB634M
    • CS-4876
    • NSC 402555
    • NPS-1776
    • EN300-1232898
    • NSC760408
    • Pharmakon1600-01506177
    • HMS3885H05
    • DTXSID3060249
    • F1995-0350
    • AS-14001
    • NS00032973
    • SW220069-1
    • AB01563345_01
    • EINECS 208-781-1
    • 2-Methylbutyramide
    • 3-Methyl-butanamide
    • CHEBI:229314
    • BRD-K90069354-001-04-5
    • DB-357220
    • BRD-K90069354-001-03-7
    • DTXCID7041596
    • BRD-K90069354-001-01-1
    • BRD-K90069354-001-02-9
    • 208-781-1
    • Isovaleramide
    • MDL: MFCD00014807
    • Inchi: 1S/C5H11NO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H2,6,7)
    • InChI Key: SANOUVWGPVYVAV-UHFFFAOYSA-N
    • SMILES: O=C(CC(C)C)N
    • BRN: 1740789

Computed Properties

  • Exact Mass: 101.08400
  • Monoisotopic Mass: 101.084064
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 2
  • Complexity: 68.5
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 0.4
  • Topological Polar Surface Area: 43.1

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.965
  • Melting Point: 135 °C
  • Boiling Point: 232°C at 760 mmHg
  • Flash Point: 232°C
  • Refractive Index: 1.4367 (estimate)
  • PSA: 43.09000
  • LogP: 1.21810
  • Merck: 14,5230
  • Solubility: Soluble in water \ ethanol \ ether, easily soluble in petroleum ether

Isovaleramide Security Information

Isovaleramide 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%

Isovaleramide Pricemore >>

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