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N,a-Dimethyl-N-2-propynyl-(3-pyridinyl)ethanamine

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Name

N,a-Dimethyl-N-2-propynyl-(3-pyridinyl)ethanamine

EINECS N/A
CAS No. 1076198-88-3 Density 0.994 g/cm3
PSA 16.13000 LogP 1.57760
Solubility N/A Melting Point N/A
Formula C12H16N2 Boiling Point 290.018 °C at 760 mmHg
Molecular Weight 188.27 Flash Point 129.199 °C
Transport Information N/A Appearance Brown oil
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1076198-88-3 (N,a-Dimethyl-N-2-propynyl-(3-pyridinyl)ethanamine) Hazard Symbols N/A
Synonyms

N-Methyl-N-prop-2-ynyl-1-(3-pyridyl)propan-2-amine;3-Azadeprenyl;

 

N,a-Dimethyl-N-2-propynyl-(3-pyridinyl)ethanamine Specification

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

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