(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-amine supplier

Name
H-PHE-PYRROLIDIDE
EINECS
CAS No. 56414-89-2
Article Data4
CAS DataBase
Density 1.135 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₈N₂O
Boiling Point 397.4 °C at 760 mmHg
Molecular Weight 218.299
Flash Point 194.1 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Pyrrolidine,1-(2-amino-1-oxo-3-phenylpropyl)-, (S)-;Pyrrolidine,1-[(2S)-2-amino-1-oxo-3-phenylpropyl]- (9CI);(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-amine;
PSA 46.33000
LogP 1.81700

(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-amine Specification

The 1-Propanone,2-amino-3-phenyl-1-(1-pyrrolidinyl)-, (2S)-, with the CAS registry number 56414-89-2, has the systematic name of (2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-amine. It is also called 1-[(2S)-2-Amino-1-oxo-3-phenylpropyl]pyrrolidine. And the molecular formula of this chemical is C₁₃H₁₈N₂O.

The physical properties of 1-Propanone,2-amino-3-phenyl-1-(1-pyrrolidinyl)-, (2S)- are as following: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.2; (4)ACD/LogD (pH 7.4): 1.37; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 5.52; (7)ACD/KOC (pH 5.5): 2.62; (8)ACD/KOC (pH 7.4): 97.63; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 63.83 cm³; (15)Molar Volume: 192.2 cm³; (16)Polarizability: 25.3×10^-24cm³; (17)Surface Tension: 50.9 dyne/cm; (18)Density: 1.135 g/cm³; (19)Flash Point: 194.1 °C; (20)Enthalpy of Vaporization: 64.78 kJ/mol; (21)Boiling Point: 397.4 °C at 760 mmHg; (22)Vapour Pressure: 1.59E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N1CCCC1)[C@@H](N)Cc2ccccc2
(2)Std. InChI: InChI=1S/C13H18N2O/c14-12(10-11-6-2-1-3-7-11)13(16)15-8-4-5-9-15/h1-3,6-7,12H,4-5,8-10,14H2/t12-/m0/s1
(3)Std. InChIKey: XJPALNDNNCWDJU-LBPRGKRZSA-N

Product Name

H-PHE-PYRROLIDIDE

(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-amine Specification

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