3-Pyrrolidinamine,N,N-dimethyl-1-(phenylmethyl)- supplier

Name
3-(DIMETHYLAMINO)PYRROLIDINE
EINECS
CAS No. 69478-77-9
Article Data1
CAS DataBase
Density 1.021 g/cm³
Solubility
Melting Point
Formula C₁₃H₂₀N₂
Boiling Point 279.126 °C at 760 mmHg
Molecular Weight 204.315
Flash Point 113.713 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms 1-Benzyl-N,N-dimethylpyrrolidin-3-amine;1-Benzyl-3-(dimethylamino)pyrrolidine;
PSA 6.48000
LogP 1.76040

3-Pyrrolidinamine,N,N-dimethyl-1-(phenylmethyl)- Specification

The CAS register number of 3-Pyrrolidinamine,N,N-dimethyl-1-(phenylmethyl)- is 69478-77-9. It also can be called as 1-Benzyl-3-(dimethylamino)pyrrolidine and the IUPAC name about this chemical is 1-benzyl-N,N-dimethylpyrrolidin-3-amine. The molecular formula about this chemical is C₁₃H₂₀N₂ and the molecular weight is 204.31. It belongs to the following product categories which include 3-Aminopyrrolidines; 3-Aminopyrrolidines (Racemic) and so on.

Physical properties about 3-Pyrrolidinamine,N,N-dimethyl-1-(phenylmethyl)- are: (1)ACD/LogP: 2.19; (2)ACD/LogD (pH 5.5): -2; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 3; (7)#H bond acceptors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 6.48Å²; (10)Index of Refraction: 1.562; (11)Molar Refractivity: 64.861 cm³; (12)Molar Volume: 200.068 cm³; (13)Polarizability: 25.713x10^-24cm³; (14)Surface Tension: 40.663 dyne/cm; (15)Enthalpy of Vaporization: 51.779 kJ/mol; (16)Boiling Point: 279.126 °C at 760 mmHg; (17)Vapour Pressure: 0.004 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1)CN2CCC(N(C)C)C2
(2)InChI: InChI=1/C13H20N2/c1-14(2)13-8-9-15(11-13)10-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
(3)InChIKey: SOTUMZCQANFRAM-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C13H20N2/c1-14(2)13-8-9-15(11-13)10-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
(5)Std. InChIKey: SOTUMZCQANFRAM-UHFFFAOYSA-N

Product Name

3-(DIMETHYLAMINO)PYRROLIDINE

3-Pyrrolidinamine,N,N-dimethyl-1-(phenylmethyl)- Specification

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