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CAS No.: | 104163-35-1 |
---|---|
Name: | (3-METHYL-2-THIENYL)METHYLAMINE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H9NS |
Molecular Weight: | 127.21 |
Synonyms: | (3-Methylthiophen-2-ylmethyl)amine;2-Aminomethyl-3-methylthiophene;3-Methyl-2-thienylmethylamine;3-Methyl-2-thiophenemethanamine; |
EINECS: | -0 |
Density: | 1.104 g/cm3 |
Boiling Point: | 204.6 °C at 760 mmHg |
Flash Point: | 77.5 °C |
Solubility: | insoluble in water |
Appearance: | colorless or yellow liquid |
Hazard Symbols: | C |
Risk Codes: | 34 |
Safety: | 26-36/37/39 |
PSA: | 54.26000 |
LogP: | 2.21550 |
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The 2-Thiophenemethanamine,3-methyl- is an organic compound with the formula C6H9NS. The systematic name of this chemical is 1-(3-methylthiophen-2-yl)methanamine. With the CAS registry number 104163-35-1, it is also named as (3-Methyl-2-thienyl)methylamine. The product's category is Thiophens. It is colorless or yellow liquid which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of 2-Thiophenemethanamine,3-methyl- can be summarized as: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.71; (4)ACD/LogD (pH 7.4): -0.33; (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): 3.1; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 31.48 Å2; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 37.91 cm3; (15)Molar Volume: 115.1 cm3; (16)Polarizability: 15.03×10-24 cm3; (17)Surface Tension: 42.4 dyne/cm; (18)Density: 1.104 g/cm3; (19)Flash Point: 77.5 °C; (20)Enthalpy of Vaporization: 44.08 kJ/mol; (21)Boiling Point: 204.6 °C at 760 mmHg; (22)Vapour Pressure: 0.261 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It can cause burns. 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, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:s1c(c(cc1)C)CN
2. InChI:InChI=1/C6H9NS/c1-5-2-3-8-6(5)4-7/h2-3H,4,7H2,1H3
3. InChIKey:SWZNXCABBUKIPZ-UHFFFAOYAM