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CAS No.: | 1076198-88-3 |
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Name: | N,a-Dimethyl-N-2-propynyl-(3-pyridinyl)ethanamine |
Molecular Structure: | |
Formula: | C12H16N2 |
Molecular Weight: | 188.27 |
Synonyms: | N-Methyl-N-prop-2-ynyl-1-(3-pyridyl)propan-2-amine;3-Azadeprenyl; |
Density: | 0.994 g/cm3 |
Boiling Point: | 290.018 °C at 760 mmHg |
Flash Point: | 129.199 °C |
Appearance: | Brown oil |
PSA: | 16.13000 |
LogP: | 1.57760 |
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The N,a-Dimethyl-N-2-propynyl-(3-pyridinyl)ethanamine with CAS registry number of 1076198-88-3 is also known as 3-Azadeprenyl. The systematic name is N-Methyl-N-prop-2-ynyl-1-(3-pyridyl)propan-2-amine. It belongs to product categories of Aliphatics; Amines; Heterocycles. In addition, the formula is C12H16N2 and the molecular weight is 188.27.
Physical properties about N,a-Dimethyl-N-2-propynyl-(3-pyridinyl)ethanamine are: (1)ACD/LogP: 1.26; (2)ACD/LogD (pH 7.4): 1.146; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 4.117; (5)ACD/KOC (pH 5.5): 3.812; (6)ACD/KOC (pH 7.4): 89.226; (7)#H bond acceptors: 2; (8)#Freely Rotating Bonds: 4; (9)Index of Refraction: 1.531; (10)Molar Refractivity: 58.565 cm3; (11)Molar Volume: 189.403 cm3; (12)Surface Tension: 40.908 dyne/cm; (13)Density: 0.994 g/cm3; (14)Flash Point: 129.199 °C; (15)Enthalpy of Vaporization: 52.936 kJ/mol; (16)Boiling Point: 290.018 °C at 760 mmHg; (17)Vapour Pressure: 0.002 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: CC(Cc1cccnc1)N(C)CC#C
2. InChI: InChI=1/C12H16N2/c1-4-8-14(3)11(2)9-12-6-5-7-13-10-12/h1,5-7,10-11H,8-9H2,2-3H3
3. InChIKey: MNWJGKNZEUOHQC-UHFFFAOYAK
4. Std. InChI: InChI=1S/C12H16N2/c1-4-8-14(3)11(2)9-12-6-5-7-13-10-12/h1,5-7,10-11H,8-9H2,2-3H3
5. Std. InChIKey: MNWJGKNZEUOHQC-UHFFFAOYSA-N