L-Phenylalanine,4-amino-, monohydrochloride (9CI) (62040-55-5)

The IUPAC name of 4-Amino-L-phenylalanine hydrochloride is (2S)-2-amino-3-(4-aminophenyl)propanoic acid hydrochloride. With the CAS registry number 62040-55-5, it is also named as 4-Amino-3-phenyl-L-alanine HCl. The product's categories are amino acids & derivatives, aromatics, peptide synthesis, phenylalanine derivatives, unnatural amino acid derivatives. In addition, this chemical is off-white powder, which should be stored at the temperature of -15 °C. Besides, its molecular formula is C₉H₁₃ClN₂O₂ and its molecular weight is 216.66. It is used as an analog of phenylalanine. Moreover, when you are using this chemical, please do not breathe dust and avoid contact with skin and eyes.

The other characteristics of 4-Amino-L-phenylalanine hydrochloride can be summarized as: (1)EINECS: 263-388-2; (2)ACD/LogP: -0.17; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): -2.7; (5)ACD/LogD (pH 7.4): -2.67; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)H bond acceptors: 4; (11)H bond donors: 5; (12)Freely Rotating Bonds: 5; (13)Polar Surface Area: 32.78 Å²; (14)Flash Point: 185.8 °C; (15)Enthalpy of Vaporization: 66.67 kJ/mol; (16)Boiling Point: 383.5 °C at 760 mmHg; (17)alpha: 8.7 °(c=1% in 80% acetic acid); (18)Vapour Pressure: 1.44E-06 mmHg at 25 °C.

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