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606-04-2

Basic Information
CAS No.: 606-04-2
Name: Pamabrom
Molecular Structure:
Molecular Structure of 606-04-2 (Pamabrom)
Formula: C11H18BrN5O3
Molecular Weight: 348.20
Synonyms: 2-amino-2-methyl-propan-1-ol; 8-bromo-1,3-dimethyl-7H-purine-2,6-dione;2-Amino-2-methylpropanol 8-bromotheophyllinate;Pamabrom [USAN];Midol Teen Formula;8-Bromo-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione compound with 2-amino-2-methyl-1-propanol (1:1);8-Bromotheophylline compound with 2-amino-2-methyl-1-propanol (1:1);1H-Purine-2,6-dione,8-bromo-3,7-dihydro- 1,3-dimethyl-,compd. with 2-amino-2-methyl-1-propanol (1:1);Bayer Select Menstrual Multi-Symptom;Pamabrom USP;
EINECS: 210-103-4
Density:
Melting Point: >300oC
Boiling Point: 469.5 °C at 760 mmHg
Flash Point: 237.7 °C
Solubility:
Appearance: COA
Hazard Symbols: Xn
Risk Codes: 22
Safety:
Transport Information:
PSA: 118.93000
LogP: 0.13910
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    606-04-2

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    606-04-2

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    606-04-2

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  • Casno:

    606-04-2

    Pamabrom

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  • Casno:

    606-04-2

    Pamabrom

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  • Pamabrom

  • Casno:

    606-04-2

    Pamabrom

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Specification

The Pamabrom, with CAS registry number 606-04-2, belongs to the following product category: API's. It has the systematic name of 8-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione - 2-amino-2-methylpropan-1-ol (1:1). And the chemical formula of this chemical is C11H18BrN5O3. What's more, its EINECS is 210-103-4. Pamabrom is available in combination with acetaminophen (paracetamol) for menstrual relief.

Physical properties of Pamabrom: (1)ACD/LogP: 0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.18; (4)ACD/LogD (pH 7.4): -1.52; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.58; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 58.44 Å2; (13)Flash Point: 237.7 °C; (14)Enthalpy of Vaporization: 73.18 kJ/mol; (15)Boiling Point: 469.5 °C at 760 mmHg; (16)Vapour Pressure: 5.49E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N(c1nc(Br)nc1C(=O)N2C)C.OCC(N)(C)C
(2)InChI: InChI=1/C7H7BrN4O2.C4H11NO/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;1-4(2,5)3-6/h1-2H3,(H,9,10);6H,3,5H2,1-2H3
(3)InChIKey: ATOTUUBRFJHZQG-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C7H7BrN4O2.C4H11NO/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;1-4(2,5)3-6/h1-2H3,(H,9,10);6H,3,5H2,1-2H3
(5)Std. InChIKey: ATOTUUBRFJHZQG-UHFFFAOYSA-N