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CAS No.: | 104163-39-5 |
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Name: | (4-METHYL-2-THIENYL)METHYLAMINE |
Molecular Structure: | |
Formula: | C6H9NS |
Molecular Weight: | 127.21 |
Synonyms: | 4-Methyl-2-(aminomethyl)thiophene;4-Methyl-2-thiophenemethanamine; |
Density: | 1.104 g/cm3 |
Boiling Point: | 200.8 °C at 760 mmHg |
Flash Point: | 75.3 °C |
Hazard Symbols: | C |
Risk Codes: | C:Corrosive; "> C:Corrosive; |
PSA: | 54.26000 |
LogP: | 2.21550 |
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The 2-Thiophenemethanamine,4-methyl-, also known as 2-(Aminomethyl)-4-methylthiophene, is the organic compound with the formula C6H9NS. With the CAS registry number 104163-39-5, its IUPAC name is (4-methylthiophen-2-yl)methanamine. When you are using this chemical, you should be very cautious because it is corrosive.
Physical properties of 2-Thiophenemethanamine,4-methyl-: (1)XLogP3-AA: 0.9; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 1; (4)Rotatable Bond Count: 1; (5)Exact Mass: 127.04557; (6)MonoIsotopic Mass: 127.04557; (7)Topological Polar Surface Area: 54.3; (8)Heavy Atom Count: 8; (9)Formal Charge: 0; (10)Complexity: 74.9; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Covalently-Bonded Unit Count: 1.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CSC(=C1)CN
(2)InChI: InChI=1S/C6H9NS/c1-5-2-6(3-7)8-4-5/h2,4H,3,7H2,1H3
(3)InChIKey: CKQHNKAVFNDGMK-UHFFFAOYSA-N