(R)-3-Amino-1-benzylpiperidine supplier

Name
(R)-3-Amino-1-benzylpiperidine
EINECS
CAS No. 168466-84-0
Article Data4
CAS DataBase
Density 1.037 g/cm³
Solubility Slightly soluble in water.
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 45-37-26
Risk Codes 25-36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms (R)-N-benzyl-3-amino-piperidine;3-Piperidinamine,1-(phenylmethyl)-, (R)- (9CI);(R)-1-Benzyl-3-aminopiperidine;(R)-1-Benzylpiperidin-3-amine;
PSA 29.26000
LogP 2.24790

(R)-3-Amino-1-benzylpiperidine Specification

The 3-Piperidinamine,1-(phenylmethyl)-, (3R)- is an organic compound with the formula C₁₂H₁₈N₂. The IUPAC name of this chemical is (3R)-1-benzylpiperidin-3-amine. With the CAS registry number 168466-84-0, it is also named as (R)-3-Amino-1-benzylpiperidine. The product's category is Piperidine.

The other characteristics of 3-Piperidinamine,1-(phenylmethyl)-, (3R)- 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)Enthalpy of Vaporization: 51.99 kJ/mol; (13)Boiling Point: 281.2 °C at 760 mmHg; (14)Vapour Pressure: 0.00363 mmHg at 25°C; (15)Rotatable Bond Count: 2; (16)Exact Mass: 190.146999; (17)MonoIsotopic Mass: 190.146999; (18)Topological Polar Surface Area: 29.3; (19)Heavy Atom Count: 14; (20)Complexity: 164; (21)Defined Atom StereoCenter Count: 1.

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-/m1/s1
3. InChIKey:HARWNWOLWMTQCC-GFCCVEGCBZ
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-/m1/s1
5. Std. InChIKey:HARWNWOLWMTQCC-GFCCVEGCSA-N

Product Name

(R)-3-Amino-1-benzylpiperidine

(R)-3-Amino-1-benzylpiperidine Specification

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