CAS No.28095-56-9,DL-3-(1-NAPHTHYL)ALANINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	28095-56-9
Name:	DL-3-(1-NAPHTHYL)ALANINE
Article Data:	16

Formula:	C₁₃H₁₃NO₂
Molecular Weight:	215.252
Synonyms:	3-naphthalen-1-ylalanine;1-Naphthalenealanine;1-Naphthalenepropanoic acid, α-amino-;2-Amino-3-(1-naphthalenyl)propanoic acid;2-Amino-3-(1-naphthyl)propanoic acid;2-amino-3-naphthalen-1-ylpropanoic acid;3-(1-Naphthyl)alanine;D,L-β-(1-Naphthyl)alanine;
Density:	1.254 g/cm³
Melting Point:	239℃
Boiling Point:	412.3 °C at 760 mmHg
Flash Point:	203.2 °C
PSA:	63.32000
LogP:	2.49450

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Specification

The 1-Naphthalenepropanoicacid, α-amino-, with the CAS registry number 28095-56-9, has the IUPAC name of 2-amino-3-naphthalen-1-ylpropanoic acid. It belongs to the following product categories: Amino Acids; I - Z; Modified Amino Acids. And the molecular formula of the chemical is C₁₃H₁₃NO₂. What's more, it should be stored at 2-8°C.

The characteristics of 1-Naphthalenepropanoicacid, α-amino- are as followings: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.15; (4)ACD/LogD (pH 7.4): -0.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.42; (8)ACD/KOC (pH 7.4): 1.4; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.66; (14)Molar Refractivity: 63.33 cm³; (15)Molar Volume: 171.5 cm³; (16)Polarizability: 25.1×10^-24cm³; (17)Surface Tension: 59.1 dyne/cm; (18)Density: 1.254 g/cm³; (19)Flash Point: 203.2 °C; (20)Enthalpy of Vaporization: 70.11 kJ/mol; (21)Boiling Point: 412.3 °C at 760 mmHg; (22)Vapour Pressure: 1.54E-07 mmHg at 25°C.

Uses of 1-Naphthalenepropanoicacid, α-amino-: It can react with 9-fluorenylmethyl-succinimidyl-carbonate to produce 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-naphthalen-1-yl-propionic acid. And the yield is about 85%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C(N)Cc2cccc1ccccc12
(2)InChI: InChI=1/C13H13NO2/c14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8,14H2,(H,15,16)
(3)InChIKey: OFYAYGJCPXRNBL-UHFFFAOYAB