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(S)-(+)-1-Benzyl-3-aminopyrrolidine

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Name

(S)-(+)-1-Benzyl-3-aminopyrrolidine

EINECS -0
CAS No. 114715-38-7 Density 1.064 g/cm3
PSA 29.26000 LogP 1.85780
Solubility N/A Melting Point N/A
Formula C11H16N2 Boiling Point 261.5 °C at 760 mmHg
Molecular Weight 176.261 Flash Point 102.4 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 114715-38-7 ((S)-(+)-1-Benzyl-3-aminopyrrolidine) Hazard Symbols IrritantXi,CorrosiveC
Synonyms

(3S)-1-Benzylpyrrolidin-3-amine;(S)-1-Benzyl-3-aminopyrrolidine;(S)-1-Benzyl-3-pyrrolidinamine;(S)-3-Amino-1-benzylpyrrolidine;3-Pyrrolidinamine,1-(phenylmethyl)-, (S)-;((S)-1-Benzylpyrrolidin-3-yl)amine;(+)-1-Benzyl-3-aminopyrrolidine;(3S)-(+)-1-Benzyl-3-aminopyrrolidine;(3S)-(+)-3-Amino-1-benzylpyrrolidine;(3S)-1-Benzyl-3-aminopyrrolidine;(3S)-1-Benzyl-3-pyrrolidinamine;

Article Data 23

(S)-(+)-1-Benzyl-3-aminopyrrolidine Specification

The IUPAC name of 3-Pyrrolidinamine,1-(phenylmethyl)-, (3S)- is (3S)-1-benzylpyrrolidin-3-amine. With the CAS registry number 114715-38-7, it is also named as (S)-(+)-3-Amino-n-benzylpyrrolidine. The product's categories are Pharmacetical; Pyrrole & Pyrrolidine & Pyrroline; 3-Aminopyrrolidines; Amines (Chiral); Chiral 3-Aminopyrrolidines; Chiral Building Blocks; Synthetic Organic Chemistry; Chiral Compound; Chiral Building Blocks; Heterocyclic Building Blocks; Pyrrolidines. In addition, this chemical is sensitive to air.

The other characteristics of 3-Pyrrolidinamine,1-(phenylmethyl)-, (3S)- can be summarized as: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.65; (4)ACD/LogD (pH 7.4): -1.32; (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): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.574; (13)Molar Refractivity: 54.73 cm3; (14)Molar Volume: 165.6 cm3; (15)Polarizability: 21.69×10-24 cm3; (16)Surface Tension: 44.7 dyne/cm; (17)Enthalpy of Vaporization: 49.92 kJ/mol; (18)Vapour Pressure: 0.0115 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Exact Mass: 176.131349; (21)MonoIsotopic Mass: 176.131349; (22)Topological Polar Surface Area: 29.3; (23)Heavy Atom Count: 13; (24)Complexity: 152; (25)Defined Atom StereoCenter Count: 1.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure. 
1. SMILES:c1cc(ccc1)CN2CC[C@H](N)C2
2. InChI:InChI=1/C11H16N2/c12-11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9,12H2/t11-/m0/s1
3. InChIKey:HBVNLKQGRZPGRP-NSHDSACABL

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