1-Naphthalenepropanoicacid, β-amino-, (βS)- supplier

Name
(S)-3-AMINO-3-(1-NAPHTHYL)-PROPIONIC ACID
EINECS
CAS No. 275826-46-5
Article Data6
CAS DataBase
Density 1.252 g/cm³
Solubility
Melting Point 227-229 °C
Formula C₁₃H₁₃NO₂
Boiling Point 412.3 °C at 760 mmHg
Molecular Weight 215.252
Flash Point 203.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (S)-3-Amino-3-(1-naphthyl)propanoicacid;(S)-3-Amino-3-(1-naphthyl)-propionic acid;
PSA 63.32000
LogP 3.01460

1-Naphthalenepropanoicacid, β-amino-, (βS)- Specification

The 1-Naphthalenepropanoicacid, β-amino-, (βS)-, with the CAS registry number 275826-46-5, has the systematic name of (3S)-3-amino-3-naphthalen-1-ylpropanoic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₃H₁₃NO₂.

The characteristics of 1-Naphthalenepropanoicacid, β-amino-, (βS)- are as followings: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.36; (4)ACD/LogD (pH 7.4): -0.36; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.1; (8)ACD/KOC (pH 7.4): 1.09; (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: 1.658; (14)Molar Refractivity: 63.38 cm³; (15)Molar Volume: 171.9 cm³; (16)Polarizability: 25.12×10^-24cm³; (17)Surface Tension: 59.2 dyne/cm; (18)Density: 1.252 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.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C[C@H](N)c2cccc1ccccc12
(2)InChI: InChI=1/C13H13NO2/c14-12(8-13(15)16)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1
(3)InChIKey: BIOQBKBTOAMMDG-LBPRGKRZBN

Product Name

(S)-3-AMINO-3-(1-NAPHTHYL)-PROPIONIC ACID

1-Naphthalenepropanoicacid, β-amino-, (βS)- Specification

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