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4-Amino-D-phenylalanine

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Name

4-Amino-D-phenylalanine

EINECS N/A
CAS No. 102281-45-8 Density 1.289 g/cm3
PSA 89.34000 LogP 1.50470
Solubility 20 mg/mL in water Melting Point 268-270 °C(lit.)
Formula C9H12N2O2 Boiling Point 383.5 °C at 760 mmHg
Molecular Weight 180.206 Flash Point 185.8 °C
Transport Information N/A Appearance white powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 102281-45-8 (D-4-AMINOPHENYLALANINE) Hazard Symbols IrritantXi
Synonyms

D-4-Aminophenylalanine;p-Amino-D-phenylalanine;(R)-2-Amino-3-(4-aminophenyl)propanoic acid;

Article Data 2

4-Amino-D-phenylalanine Specification

The IUPAC name of D-Phenylalanine,4-amino- is (2R)-2-amino-3-(4-aminophenyl)propanoic acid. With the CAS registry number 102281-45-8, it is also named as 4-Amino-D-phenylalanine. The product's categories are Amino Acids; Phenylalanine Analogs and other Aromatic Alpha Amino Acids; Chiral Compound; A-amino. Besides, it is white powder, which should be stored at 2-8 °C. In addition, its molecular formula is C9H12N2O2 and its molecular weight is 180.20.

The other characteristics of D-Phenylalanine,4-amino- can be summarized as: (1)ACD/LogP: -0.17; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.7; (4)ACD/LogD (pH 7.4): -2.67; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.63; (13)Molar Refractivity: 49.72 cm3; (14)Molar Volume: 139.7 cm3; (15)Surface Tension: 65.6 dyne/cm; (16)Density: 1.289 g/cm3; (17)Flash Point: 185.8 °C; (18)Melting Point: 268-270 °C; (19)Solubility: H2O: 20 mg/mL; (20)Enthalpy of Vaporization: 66.67 kJ/mol; (21)Boiling Point: 383.5 °C at 760 mmHg; (22)Vapour Pressure: 1.44E-06 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)[C@@H](N)Cc1ccc(N)cc1
(2)InChI: InChI=1/C9H12N2O2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)/t8-/m0/s1
(3)InChIKey: CMUHFUGDYMFHEI-QMMMGPOBBN
(4)Std. InChI: InChI=1S/C9H12N2O2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)/t8-/m0/s1
(5)Std. InChIKey: CMUHFUGDYMFHEI-QMMMGPOBSA-N

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