Products Categories
| CAS No.: | 592-17-6 |
|---|---|
| Name: | N-ISOBUTYLUREA |
| Article Data: | 7 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H12N2O |
| Molecular Weight: | 116.16 |
| Synonyms: | Urea,(2-methylpropyl)- (9CI);Urea, isobutyl- (6CI,7CI,8CI);1-Isobutylurea;Isobutylurea;N-Isobutylurea;NSC 27457; |
| Density: | 0.959g/cm3 |
| Melting Point: | 133-135°C |
| Boiling Point: | 171.5 °C at 760 mmHg |
| Flash Point: | 57.5 °C |
| PSA: | 55.12000 |
| LogP: | 1.40190 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- Total:19 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The Urea,N-(2-methylpropyl)-, with CAS registry number 592-17-6, belongs to the following product categories: (1)Miscellaneous Reagents; (2)Intermediates. It has the systematic name of 1-(2-methylpropyl)urea. This chemical is a kind of white crystals. Its classification code is Drug / Therapeutic Agent. And the chemical formula of this chemical is C5H12N2O.
Physical properties of Urea,N-(2-methylpropyl)-: (1)ACD/LogP: 0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.18; (4)ACD/LogD (pH 7.4): 0.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.94; (8)ACD/KOC (pH 7.4): 29.94; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 32.33 cm3; (15)Molar Volume: 121 cm3; (16)Polarizability: 12.81×10-24cm3; (17)Surface Tension: 33.1 dyne/cm; (18)Density: 0.959 g/cm3; (19)Flash Point: 57.5 °C; (20)Enthalpy of Vaporization: 40.78 kJ/mol; (21)Boiling Point: 171.5 °C at 760 mmHg; (22)Vapour Pressure: 1.4 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)NCC(C)C
(2)InChI: InChI=1/C5H12N2O/c1-4(2)3-7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)
(3)InChIKey: MQBITTBZTXUIPN-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C5H12N2O/c1-4(2)3-7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)
(5)Std. InChIKey: MQBITTBZTXUIPN-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | parenteral | 2614mg/kg (2614mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Journal of Pharmacology and Experimental Therapeutics. Vol. 52, Pg. 216, 1934. |
| rat | LD | oral | > 500mg/kg (500mg/kg) | National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 47, 1953. |