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CAS No.: | 3653-34-7 |
---|---|
Name: | 3-AMINO-5-METHYLHEXANOIC ACID |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C7H15NO2 |
Molecular Weight: | 145.202 |
Synonyms: | Hexanoic acid, 3-amino-5-methyl-;3-amino-5-methylhexanoic acid; |
Density: | 1.014 g/cm3 |
Melting Point: | 222-228 °C (dec.) |
Boiling Point: | 249.1 °C at 760 mmHg |
Flash Point: | 104.5 °C |
Appearance: | white crystals |
Hazard Symbols: | Xi |
Risk Codes: | 43 |
Safety: | 36/37 |
PSA: | 63.32000 |
LogP: | 1.53480 |
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The Hexanoic acid,3-amino-5-methyl-, with the CAS registry number 3653-34-7, has the systematic name of 3-amino-5-methylhexanoic acid. It is a kind of white crystals, and should be stored at dry and cool environment. The molecular formula of the chemical is C7H15NO2.
The characteristics of Hexanoic acid,3-amino-5-methyl- are as followings: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.61; (4)ACD/LogD (pH 7.4): -1.6; (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: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 39.49 cm3; (15)Molar Volume: 143.1 cm3; (16)Polarizability: 15.65×10-24cm3; (17)Surface Tension: 38.3 dyne/cm; (18)Density: 1.014 g/cm3; (19)Flash Point: 104.5 °C; (20)Enthalpy of Vaporization: 53.55 kJ/mol; (21)Boiling Point: 249.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00744 mmHg at 25°C.
You should be cautious while dealing with this chemical. It may cause sensitization by skin contact. Therefore, you had better take the following instructions: Wear suitable protective clothing and gloves.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)CC(N)CC(C)C
(2)InChI: InChI=1/C7H15NO2/c1-5(2)3-6(8)4-7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)
(3)InChIKey: MLYMSIKVLAPCAK-UHFFFAOYAR