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| CAS No.: | 82160-07-4 |
|---|---|
| Name: | (S)-(-)-1-METHYL-2-(1-NAPHTHYLAMINOMETHYL)PYRROLIDINE |
| Molecular Structure: | |
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| Formula: | C16H20N2 |
| Molecular Weight: | 240.348 |
| Synonyms: | 2-Pyrrolidinemethanamine,1-methyl-N-1-naphthalenyl-, (S)-;(S)-(-)-1-Methyl-2-(1-naphthylaminomethyl)pyrrolidine;Methylnaphthylaminomethylpyrrolidine;[2S,(-)]-1-Methyl-2-(1-naphtylaminomethyl)pyrrolidine; |
| Density: | 1.098 g/cm3 |
| Melting Point: | 66 °C |
| Boiling Point: | 390.061 °C at 760 mmHg |
| Flash Point: | 166.164 °C |
| PSA: | 15.27000 |
| LogP: | 3.35680 |
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Specification
The systematic name of 2-Pyrrolidinemethanamine,1-methyl-N-1-naphthalenyl-, (2S)- is N-{[(2S)-1-methylpyrrolidin-2-yl]methyl}naphthalen-1-amine. With the CAS registry number 82160-07-4, it is also named as (S)-(-)-1-Methyl-2-(1-naphthylaminomethyl)pyrrolidine. The product's categories are Chiral; Asymmetric Synthesis; Synthetic Organic Chemistry. In addition, its molecular formula is C16H20N2 and its molecular weight is 240.34.
The other characteristics of 2-Pyrrolidinemethanamine,1-methyl-N-1-naphthalenyl-, (2S)- can be summarized as: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1; (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): 4; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 15.27 Å2; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 78.438 cm3; (15)Molar Volume: 218.799 cm3; (16)Polarizability: 31.095×10-24cm3; (17)Surface Tension: 46.703 dyne/cm; (18)Density: 1.098 g/cm3; (19)Flash Point: 166.164 °C; (20)Melting Point: 66 °C; (21)Enthalpy of Vaporization: 63.948 kJ/mol; (22)Boiling Point: 390.061 °C at 760 mmHg; (23)Vapour Pressure: 0 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: c3(NC[C@H]1N(C)CCC1)c2ccccc2ccc3
(2)InChI: InChI=1/C16H20N2/c1-18-11-5-8-14(18)12-17-16-10-4-7-13-6-2-3-9-15(13)16/h2-4,6-7,9-10,14,17H,5,8,11-12H2,1H3/t14-/m0/s1
(3)InChIKey: XNUJQYGTHGYURE-AWEZNQCLBJ
(4)Std. InChI: InChI=1S/C16H20N2/c1-18-11-5-8-14(18)12-17-16-10-4-7-13-6-2-3-9-15(13)16/h2-4,6-7,9-10,14,17H,5,8,11-12H2,1H3/t14-/m0/s1
(5)Std. InChIKey: XNUJQYGTHGYURE-AWEZNQCLSA-N