(S)-1-Benzyl-3-aminopiperidine supplier

Name
(S)-1-Benzyl-3-aminopiperidine
EINECS
CAS No. 168466-85-1
Article Data3
CAS DataBase
Density 1.037 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₈N₂
Boiling Point 281.2 °C at 760 mmHg
Molecular Weight 190.288
Flash Point 113.9 °C
Transport Information
Appearance
Safety 26-37
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Piperidinamine,1-(phenylmethyl)-, (S)-;(S)-1-Benzylpiperidin-3-amine;(S)-N-benzyl-3-amino-piperidine;
PSA 29.26000
LogP 2.24790

(S)-1-Benzyl-3-aminopiperidine Specification

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

Product Name

(S)-1-Benzyl-3-aminopiperidine

(S)-1-Benzyl-3-aminopiperidine Specification

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