2-Pyrrolidinemethanamine,1-methyl-N-1-naphthalenyl-, (2S)- supplier

Name
(S)-(-)-1-METHYL-2-(1-NAPHTHYLAMINOMETHYL)PYRROLIDINE
EINECS
CAS No. 82160-07-4
Article Data3
CAS DataBase
Density 1.098 g/cm³
Solubility
Melting Point 66 °C
Formula C₁₆H₂₀N₂
Boiling Point 390.061 °C at 760 mmHg
Molecular Weight 240.348
Flash Point 166.164 °C
Transport Information
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Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Pyrrolidinemethanamine,1-methyl-N-1-naphthalenyl-, (S)-;(S)-(-)-1-Methyl-2-(1-naphthylaminomethyl)pyrrolidine;Methylnaphthylaminomethylpyrrolidine;[2S,(-)]-1-Methyl-2-(1-naphtylaminomethyl)pyrrolidine;
PSA 15.27000
LogP 3.35680

2-Pyrrolidinemethanamine,1-methyl-N-1-naphthalenyl-, (2S)- 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

Product Name

(S)-(-)-1-METHYL-2-(1-NAPHTHYLAMINOMETHYL)PYRROLIDINE

2-Pyrrolidinemethanamine,1-methyl-N-1-naphthalenyl-, (2S)- Specification

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