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CAS No.: | 168466-85-1 |
---|---|
Name: | (S)-1-Benzyl-3-aminopiperidine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C12H18N2 |
Molecular Weight: | 190.288 |
Synonyms: | 3-Piperidinamine,1-(phenylmethyl)-, (S)-;(S)-1-Benzylpiperidin-3-amine;(S)-N-benzyl-3-amino-piperidine; |
Density: | 1.037 g/cm3 |
Boiling Point: | 281.2 °C at 760 mmHg |
Flash Point: | 113.9 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37 |
PSA: | 29.26000 |
LogP: | 2.24790 |
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The (S)-1-Benzyl-3-aminopiperidine is an organic compound with the formula C12H18N2. The systematic name of this chemical is (3S)-1-benzylpiperidin-3-amine. With the CAS registry number 168466-85-1, it is also named as (S)-3-Amino-1-benzylpiperidine. The product's category is Piperidine and the formula weight is 190.28.
The other characteristics of (S)-1-Benzyl-3-aminopiperidine can be summarized as: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 6.48 Å2; (7)Index of Refraction: 1.56; (8)Molar Refractivity: 59.34 cm3; (9)Molar Volume: 183.3 cm3; (10)Polarizability: 23.52×10-24 cm3; (11)Surface Tension: 42.6 dyne/cm; (12)Density: 1.037 g/cm3; (13)Flash Point: 113.9 °C; (14)Enthalpy of Vaporization: 51.99 kJ/mol; (15)Boiling Point: 281.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00363 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:c1c(cccc1)CN2CCC[C@H](N)C2
2. InChI:InChI=1/C12H18N2/c13-12-7-4-8-14(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,13H2/t12-/m0/s1
3. InChIKey:HARWNWOLWMTQCC-LBPRGKRZBP
4. Std. InChI:InChI=1S/C12H18N2/c13-12-7-4-8-14(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,13H2/t12-/m0/s1
5. Std. InChIKey:HARWNWOLWMTQCC-LBPRGKRZSA-N