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| CAS No.: | 623-95-0 |
|---|---|
| Name: | N,N'-Dipropylurea |
| Article Data: | 46 |
| Molecular Structure: | |
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| Formula: | C7H16 N2 O |
| Molecular Weight: | 144.217 |
| Synonyms: | Urea,1,3-dipropyl- (6CI,7CI,8CI);1,3-Di-n-propylurea;1,3-Dipropylurea;N,N'-Dipropylurea; |
| EINECS: | 210-821-8 |
| Density: | 0.907 g/cm3 |
| Melting Point: | 104-106 °C |
| Boiling Point: | 255 °C at 760 mmHg |
| Flash Point: | 122.3 °C |
| Risk Codes: | R52/53 |
| Safety: | 61 |
| PSA: | 41.13000 |
| LogP: | 1.88740 |
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Specification
The 1,3-Dipropylurea with cas registry number of 623-95-0, is also called 1,3-Di-n-propylurea ; 1,3-Dipropylurea ; N,N'-Dipropylurea .The 1,3-Dipropylurea belongs to the following product categorie: (1)Small molecule; (2)Carbonyl Compounds; (3)Organic Building Blocks; (4)Ureas.
Physical properties of 1,3-Dipropylurea :(1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.11; (4)ACD/LogD (pH 7.4): 1.11; (5)ACD/BCF (pH 5.5): 4.11; (6)ACD/BCF (pH 7.4): 4.11; (7)ACD/KOC (pH 5.5): 95.69; (8)ACD/KOC (pH 7.4): 95.69; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.438; (14)Molar Refractivity: 41.69 cm3; (15)Molar Volume: 158.8 cm3; (16)Polarizability: 16.53×10-24cm3; (17)Surface Tension: 29.9 dyne/cm; (18)Enthalpy of Vaporization: 49.25 kJ/mol; (19)Vapour Pressure: 0.0167 mmHg at 25°C .
When you are using this chemical, please be cautious about it as the following:
Firstly, 1,3-Dipropylurea is harmful to aquatic organisms, it may may cause long-term adverse effects in the aquatic environment. So avoid release to the environment. Refer to special instructions / safety data sheets.
You can still convert the following datas into molecular structure: (1)SMILES:O=C(NCCC)NCCC; (2)InChI:InChI=1/C7H16N2O/c1-3-5-8-7(10)9-6-4-2/h3-6H2,1-2H3,(H2,8,9,10); (3)InChIKey:AWHORBWDEKTQAX-UHFFFAOYAB ; (4)Std. InChI:InChI=1S/C7H16N2O/c1-3-5-8-7(10)9-6-4-2/h3-6H2,1-2H3,(H2,8,9,10); (5)Std. InChIKey:AWHORBWDEKTQAX-UHFFFAOYSA-N .