[(2S)-1-(4-Nitrophenyl)-2-pyrrolidinyl]methanol supplier

Name
(S)-(-)-1-(4-NITROPHENYL)-2-PYRROLIDINE&
EINECS
CAS No. 88422-19-9
Article Data3
CAS DataBase
Density 1.274g/cm³
Solubility
Melting Point 115-116 °C(lit.)
Formula C11H14 N2 O3
Boiling Point 417.878°C at 760 mmHg
Molecular Weight 222.244
Flash Point 206.525°C
Transport Information
Appearance
Safety Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms 2-Pyrrolidinemethanol,1-(4-nitrophenyl)-, (S)-;(2S)-N-(4-Nitrophenyl)-2-(hydroxymethyl)pyrrolidine;(S)-(-)-1-(4-Nitrophenyl)-2-pyrrolidinemethanol;(S)-N-(p-Nitrophenyl)prolinol;N-(4-Nitrophenyl)-(S)-prolinol;N-(4-Nitrophenyl)-(S)-prolinoxy;N-(4-Nitrophenyl)-L-prolinol;NPP (optical material);
PSA 69.29000
LogP 2.14410

[(2S)-1-(4-Nitrophenyl)-2-pyrrolidinyl]methanol Specification

The [(2S)-1-(4-Nitrophenyl)-2-pyrrolidinyl]methanol, with the CAS registry number 88422-19-9.It belongs to the product Organic matters.This chemical's molecular formula is C₁₁H₁₄N₂O₃and molecular weight is 222.24. What's more,Its systematic name is [(2S)-1-(4-Nitrophenyl)-2-pyrrolidinyl]methanol.

Physical properties about [(2S)-1-(4-Nitrophenyl)-2-pyrrolidinyl]methanol are: (1)ACD/LogP: 1.583; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.58; (4)ACD/LogD (pH 7.4): 1.58; (5)ACD/BCF (pH 5.5): 9.39; (6)ACD/BCF (pH 7.4): 9.39; (7)ACD/KOC (pH 5.5): 172.93; (8)ACD/KOC (pH 7.4): 172.96; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.59; (13)Molar Refractivity: 59.232 cm³; (14)Molar Volume: 174.375 cm³; (15)Surface Tension: 54.060001373291 dyne/cm; (16)Density: 1.274 g/cm³; (17)Flash Point: 206.525 °C; (18)Enthalpy of Vaporization: 70.779 kJ/mol; (19)Boiling Point: 417.878 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:[O-][N+](=O)c1ccc(cc1)N2[C@@H](CCC2)CO;
(2)Std. InChI:InChI=1S/C11H14N2O3/c14-8-11-2-1-7-12(11)9-3-5-10(6-4-9)13(15)16/h3-6,11,14H,1-2,7-8H2/t11-/m0/s1;
(3)Std. InChIKey:HCVBBVTZZJFVLA-NSHDSACASA-N.

Product Name

(S)-(-)-1-(4-NITROPHENYL)-2-PYRROLIDINE&

[(2S)-1-(4-Nitrophenyl)-2-pyrrolidinyl]methanol Specification

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Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	26-37/39