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| CAS No.: | 13532-77-9 |
|---|---|
| Name: | 5-AMINO-2,2-DIMETHYLPENTANOL |
| Molecular Structure: | |
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|
|
| Formula: | C7H17NO |
| Molecular Weight: | 131.218 |
| Synonyms: | 2,2-Dimethyl-5-amino-1-pentanol;5-Amino-2,2-dimethyl-1-pentanol;5-Amino-2,2-dimethyl-1-pentyl alcohol;5-Amino-2,2-dimethylpentanol; |
| Density: | 0.903 g/cm3 |
| Boiling Point: | 239.4 °C at 760 mmHg |
| Flash Point: | 98.6 °C |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 22-36-43 |
| Safety: | 26-37/39 |
| PSA: | 46.25000 |
| LogP: | 1.44410 |
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Specification
The 1-Pentanol,5-amino-2,2-dimethyl- is an organic compound with the formula C7H17NO. The IUPAC name of this chemical is 5-amino-2,2-dimethylpentan-1-ol. With the CAS registry number 13532-77-9, it is also named as 2,2-Dimethyl-5-amino-1-pentanol. The product's categories are Amino Alcohols; Organic Building Blocks; Oxygen Compounds.
Physical properties about 1-Pentanol,5-amino-2,2-dimethyl- are: (1)ACD/LogP: 0.15; (2)ACD/LogD (pH 5.5): -2.94; (3)ACD/LogD (pH 7.4): -2.66; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 12.47 Å2; (12)Index of Refraction: 1.456; (13)Molar Refractivity: 39.51 cm3; (14)Molar Volume: 145.3 cm3; (15)Polarizability: 15.66×10-24cm3; (16)Surface Tension: 34.2 dyne/cm; (17)Density: 0.903 g/cm3; (18)Flash Point: 98.6 °C; (19)Enthalpy of Vaporization: 55.35 kJ/mol; (20)Boiling Point: 239.4 °C at 760 mmHg; (21)Vapour Pressure: 0.00706 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes and may cause sensitisation by skin contact. When you are using it, wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: OCC(C)(C)CCCN
(2)InChI: InChI=1/C7H17NO/c1-7(2,6-9)4-3-5-8/h9H,3-6,8H2,1-2H3
(3)InChIKey: ZOOPONUAQQEUQX-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C7H17NO/c1-7(2,6-9)4-3-5-8/h9H,3-6,8H2,1-2H3
(5)Std. InChIKey: ZOOPONUAQQEUQX-UHFFFAOYSA-N