N-Acetyl-L-prolinamide supplier

Name
N-Acetyl-L-prolinamide
EINECS
CAS No. 16395-58-7
Article Data6
CAS DataBase
Density 1.206 g/cm³
Solubility
Melting Point 178-180 °C
Formula C₇H₁₂N₂O₂
Boiling Point 411.9 °C at 760 mmHg
Molecular Weight 156.184
Flash Point 202.9 °C
Transport Information
Appearance White Powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Pyrrolidinecarboxamide,1-acetyl-, (S)-;2-Pyrrolidinecarboxamide, 1-acetyl-, L- (8CI);1-Acetylprolinamide;N-Acetylprolinamide;
PSA 63.40000
LogP 0.12080

N-Acetyl-L-prolinamide Specification

The IUPAC name of 2-Pyrrolidinecarboxamide,1-acetyl-, (2S)- is (2S)-1-acetylpyrrolidine-2-carboxamide. With the CAS registry number 16395-58-7, it is also named as N-Acetyl-L-prolinamide. The product's categories are Pyrrole; Amino Acids Series; Amino Acids; Chiral Compound. Beisides, this chemical should be stored at room temperature. In addition, its molecular formula is C₇H₁₂N₂O₂ and its molecular weight is 156.18.

The other characteristics of 2-Pyrrolidinecarboxamide,1-acetyl-, (2S)- can be summarized as: (1)ACD/LogP: -1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.34; (4)ACD/LogD (pH 7.4): -1.34; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.42; (8)ACD/KOC (pH 7.4): 4.42; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 40.62 Å²; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 39.32 cm³; (15)Molar Volume: 129.4 cm³; (16)Polarizability: 15.59×10^-24cm³; (17)Surface Tension: 50.5 dyne/cm; (18)Density: 1.206 g/cm³; (19)Flash Point: 202.9 °C; (20)Enthalpy of Vaporization: 66.45 kJ/mol; (21)Boiling Point: 411.9 °C at 760 mmHg; (22)Vapour Pressure: 5.38E-07 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(N)[C@H]1N(C(=O)C)CCC1
(2)InChI: InChI=1/C7H12N2O2/c1-5(10)9-4-2-3-6(9)7(8)11/h6H,2-4H2,1H3,(H2,8,11)/t6-/m0/s1
(3)InChIKey: CXURPNUIYCJENH-LURJTMIEBJ
(4)Std. InChI: InChI=1S/C7H12N2O2/c1-5(10)9-4-2-3-6(9)7(8)11/h6H,2-4H2,1H3,(H2,8,11)/t6-/m0/s1
(5)Std. InChIKey: CXURPNUIYCJENH-LURJTMIESA-N

Product Name

N-Acetyl-L-prolinamide

N-Acetyl-L-prolinamide Specification

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