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L-3-Cyclopropylalanine

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Name

L-3-Cyclopropylalanine

EINECS N/A
CAS No. 102735-53-5 Density 1.218 g/cm3
PSA 63.32000 LogP 0.89870
Solubility N/A Melting Point N/A
Formula C6H11NO2 Boiling Point 258 °C at 760 mmHg
Molecular Weight 129.159 Flash Point 109.9 °C
Transport Information N/A Appearance white crystalline powder
Safety Risk Codes 22
Molecular Structure Molecular Structure of 102735-53-5 (L-CYCLOPROPYLALANINE) Hazard Symbols Xn
Synonyms

3-Cyclopropyl-L-alanine;Cyclopropanepropanoicacid, a-amino-, (S)-;(S)-2-Amino-3-cyclopropylpropionic acid;2(S)-Amino-3-cyclopropylpropanoic acid;

Article Data 6

L-3-Cyclopropylalanine Specification

The CAS registry number of L-3-Cyclopropylalanine is 102735-53-5. Its EINECS registry number is 102735-53-5. In addition, the molecular formula is C6H11NO2 and the molecular weight is 129.16. The IUPAC name is (2S)-2-amino-3-cyclopropylpropanoic acid. What's more, it should be stored in sealed container, and put in a cool and dry place. And it is used as pharmaceutical intermediate or raw material in fine chemistry industry.

Physical properties about L-3-Cyclopropylalanine are: (1)ACD/LogP: 0.22; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 37.3 Å2; (10)Index of Refraction: 1.532; (11)Molar Refractivity: 32.85 cm3; (12)Molar Volume: 105.9 cm3; (13)Polarizability: 13.02 ×10-24cm3; (14)Surface Tension: 57.7 dyne/cm; (15)Density: 1.218 g/cm3; (16)Flash Point: 109.9 °C; (17)Enthalpy of Vaporization: 54.57 kJ/mol; (18)Boiling Point: 258 °C at 760 mmHg; (19)Vapour Pressure: 0.00425 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)[C@@H]([NH3+])CC1CC1
(2)Std.InChI: InChI=1S/C6H11NO2/c7-5(6(8)9)3-4-1-2-4/h4-5H,1-3,7H2,(H,8,9)/t5-/m0/s1
(3)Std.InChIKey: XGUXJMWPVJQIHI-YFKPBYRVSA-N

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