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4-Amino-L-phenylalanine hydrochloride

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Name

4-Amino-L-phenylalanine hydrochloride

EINECS 263-388-2
CAS No. 62040-55-5 Density N/A
PSA 89.34000 LogP 2.30670
Solubility N/A Melting Point N/A
Formula C9H13ClN2O2 Boiling Point 383.5 °C at 760 mmHg
Molecular Weight 216.667 Flash Point 185.8 °C
Transport Information N/A Appearance Off-White Powder
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 62040-55-5 (4-Amino-L-phenylalanine hydrochloride) Hazard Symbols N/A
Synonyms

4-Amino-L-phenylalanine hydrochloride;4-Amino-3-phenyl-L-alanine HCl;

Article Data 1

4-Amino-L-phenylalanine hydrochloride Specification

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

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