CAS No.168466-84-0,(R)-3-Amino-1-benzylpiperidine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	168466-84-0
Name:	(R)-3-Amino-1-benzylpiperidine
Article Data:	4

Formula:	C₁₂H₁₈N₂
Molecular Weight:	190.288
Synonyms:	(R)-N-benzyl-3-amino-piperidine;3-Piperidinamine,1-(phenylmethyl)-, (R)- (9CI);(R)-1-Benzyl-3-aminopiperidine;(R)-1-Benzylpiperidin-3-amine;
Density:	1.037 g/cm³
Boiling Point:	281.2 °C at 760 mmHg
Flash Point:	113.9 °C
Solubility:	Slightly soluble in water.
Hazard Symbols:	Xi
Risk Codes:	25-36/37/38
Safety:	45-37-26
PSA:	29.26000
LogP:	2.24790

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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