4-Nitro-D-phenylalanine hydrochloride supplier

Name
4-Nitro-D-phenylalanine hydrochloride
EINECS
CAS No. 147065-06-3
Article Data4
CAS DataBase
Density
Solubility
Melting Point
Formula C₉H₁₀N₂O₄^.HCl
Boiling Point 435.5 °C at 760 mmHg
Molecular Weight 246.65
Flash Point 217.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms I01-8983;(R)-4-Nitrophenylalanine Hydrochloride Salt;
PSA 109.14000
LogP 2.57470

4-Nitro-D-phenylalanine hydrochloride Specification

The 4-Nitro-D-phenylalanine hydrochloride is an organic compound with the formula C₉H₁₀N₂O₄^.HCl. The systematic name of this chemical is 4-nitrophenylalanine hydrochloride (1:1) and the CAS registry number is 147065-06-3. In addition, the molecular weight is 246.65.

The other characteristics of 4-Nitro-D-phenylalanine hydrochloride can be summarized as: (1)ACD/LogP: 0.84; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 75.36 Å²; (7)Flash Point: 217.2 °C; (8)Enthalpy of Vaporization: 72.91 kJ/mol; (9)Boiling Point: 435.5 °C at 760 mmHg; (10)Vapour Pressure: 2.35E-08 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:Cl.[O-][N+](=O)c1ccc(cc1)CC(N)C(=O)O
2. InChI:InChI=1/C9H10N2O4.ClH/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15;/h1-4,8H,5,10H2,(H,12,13);1H
3. InChIKey:XNPWOQZTJFYSEI-UHFFFAOYAM
4. Std. InChI:InChI=1S/C9H10N2O4.ClH/c10-8(9(12)13)5-6-1-3-7(4-2-6)11(14)15;/h1-4,8H,5,10H2,(H,12,13);1H
5. Std. InChIKey:XNPWOQZTJFYSEI-UHFFFAOYSA-N

Product Name

4-Nitro-D-phenylalanine hydrochloride

4-Nitro-D-phenylalanine hydrochloride Specification

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