3-(N',N'-dimethylhydrazinecarbonyl)propanoic acid

• ChemBase ID: 104644
• Molecular Formular: C6H12N2O3
• Molecular Mass: 160.17108
• Monoisotopic Mass: 160.08479225
• SMILES: CN(C)NC(=O)CCC(=O)O
• Canonical SMILES: CN(NC(=O)CCC(=O)O)C
• InChI: InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)
• InChIKey: NOQGZXFMHARMLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(N',N'-dimethylhydrazinecarbonyl)propanoic acid
• IUPAC Traditional name: daminozide
• Synonyms: N-(Dimethylamino)succinamic acid; Daminozide; Daminozide; SUCCINIC ACID 2,2-DIMETHYLHYDRAZIDE; Daminozide; Succinic acid mono(2,2-dimethylhydrazide); 单(2,2-二甲基酰肼)丁二酸酰肼; 比久

Database IDs

• CAS Number: 1596-84-5
• EC Number: 216-485-9
• MDL Number: MFCD00002787
• Beilstein Number: 1863230
• PubChem SID: 24868896; 162092288; 24899214
• PubChem CID: 15331
• Chemspider ID: 14593
• KEGG ID: C10996
• MeSH Name: daminozide
• Unique Ingredient Identifier: F6KF33M5UB
• Wikipedia Title: Daminozide

CALCULATED PROPERTIES

• Acid pKa: 4.4990597
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.3844976
• LogD (pH = 7.4): -4.1518617
• Log P: -1.3361311
• Molar Refractivity: 38.4526 cm^3
• Polarizability: 15.039643 Å^3
• Polar Surface Area: 69.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: White crystals
• Melting Point: 159.24°C (432.39K); 162-164 °C(lit.)
• Vapor Pressure: <0.01 mPa at 20 °C

Safety Information

• Storage Condition: 2-8°C
• RTECS: WM9625000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 2
• Risk Statements: R:40
• Safety Statements: S:36/37
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: 99%
• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: ampule of 1000 mg
• Linear Formula: HO2CCH2CH2CONHN(CH3)2

DETAILS

MP Biomedicals - 02156685

White powder.

Sigma Aldrich - 45418

Legal Information
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