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Name |
3-Amino-2,2-dimethyl-1-propanol |
EINECS | 247-948-3 |
CAS No. | 26734-09-8 | Density | 0.919 g/cm3 |
PSA | 46.25000 | LogP | 0.66390 |
Solubility | very faint turbidity | Melting Point |
70 °C |
Formula | C5H13NO | Boiling Point | 179.151 °C at 760 mmHg |
Molecular Weight | 103.164 | Flash Point | 62.148 °C |
Transport Information | N/A | Appearance | Colourless solid |
Safety | 26-36 | Risk Codes | 36/38 |
Molecular Structure | Hazard Symbols | R36/38:Irritating to eyes and skin.; | |
Synonyms |
1-Amino-2,2-dimethyl-3-propanol;2,2-Dimethyl-3-amino-1-propanol;2,2-Dimethyl-3-aminopropanol;2,2-Dimethyl-3-hydroxypropanamine;3-Amino-2,2-dimethylpropanol;3-Hydroxy-2,2-dimethylpropylamine;Neopentanolamine; |
Article Data | 14 |
The IUPAC name of 1-Propanol, 3-amino-2,2-dimethyl- is 3-amino-2,2-dimethylpropan-1-ol. With the CAS registry number 26734-09-8, it is also named as 3-Amino-2,2-dimethyl-1-propanol. The product's category is Miscellaneous Reagents. It is colourless solid which is hygroscopic. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.51; (4)ACD/LogD (pH 7.4): -3.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.451; (13)Molar Refractivity: 30.24 cm3; (14)Molar Volume: 112.3 cm3; (15)Polarizability: 11.99×10-24 cm3; (16)Surface Tension: 34.3 dyne/cm; (17)Enthalpy of Vaporization: 48.36 kJ/mol; (18)Vapour Pressure: 0.285 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Exact Mass: 103.099714; (21)MonoIsotopic Mass: 103.099714; (22)Topological Polar Surface Area: 46.2; (23)Heavy Atom Count: 7; (24)Complexity: 52.
Preparation of 1-Propanol, 3-amino-2,2-dimethyl-: It can be obtained by 2-cyano-2-methyl-proπonic acid ethyl ester. This reaction needs reagent LiAlH4 and solvent diethyl ether.
Uses of 1-Propanol, 3-amino-2,2-dimethyl-: It can react with benzoic acid methyl ester to get N-(2,2-dimethyl-2-hydroxypropyl)benzamide. This reaction needs reagent Pt electrodes, tetraethylammonium perchlorate and solvent acetonitrile at temperature of 23 °C. The yield is 70%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES:OCC(C)(C)CN
2. InChI:InChI=1/C5H13NO/c1-5(2,3-6)4-7/h7H,3-4,6H2,1-2H3
3. InChIKey:FNVOFDGAASRDQY-UHFFFAOYAK