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L-Norleucine, 6-borono-

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Name

L-Norleucine, 6-borono-

EINECS N/A
CAS No. 222638-65-5 Density 1.222 g/cm3
PSA 103.78000 LogP -0.25830
Solubility N/A Melting Point N/A
Formula C6H14BNO4 Boiling Point 404.377 °C at 760 mmHg
Molecular Weight 174.99 Flash Point 198.36 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 222638-65-5 (2(s)-Amino-6-boronohexanoic acid) Hazard Symbols N/A
Synonyms

222638-65-5;2(s)-amino-6-boronohexanoic acid;L-Norleucine, 6-borono-;(2S)-2-amino-6-boronohexanoic acid;6-borono-L-norleucine;(S)-2-amino-6-boronohexanoic acid;4X6P7ZQE7D;ABH;6-(dihydroxyboryl)-L-norleucine;CHEBI:40520;(2S)-2-amino-6-(dihydroxyboranyl)hexanoic acid;CHEMBL1812661;(S)-ABH;(R)-2-Amino-6-boronohexanoic acid;D08PUJ;UNII-4X6P7ZQE7D;SCHEMBL215523;GTPL5107;DTXSID20430749;(S)-2-amino-6-boronohexanoicacid;BDBM130378;MFCD08056094;AKOS006284705;2(S)-amino-6-boronohexanoic acid (ABH);PD020048;(2S)-2-amino-6-(dihydroxyboryl)hexanoic acid;Q27071909

 

L-Norleucine, 6-borono- Specification

The L-Norleucine, 6-borono-, with the CAS registry number 222638-65-5, is also known as 2-Amino-6-boronohexanoic acid. This chemical's molecular formula is C6H14BNO4 and molecular weight is 174.99. Its systematic name is called 6-(dihydroxyboranyl)norleucine.

Physical properties of L-Norleucine, 6-borono-: (1)ACD/LogP: -0.47; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.49; (13)Molar Refractivity: 41.404 cm3; (14)Molar Volume: 143.217 cm3; (15)Surface Tension: 54.692 dyne/cm; (16)Density: 1.222 g/cm3; (17)Flash Point: 198.36 °C; (18)Enthalpy of Vaporization: 75.793 kJ/mol; (19)Boiling Point: 404.377 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)CCCCB(O)O
(2)InChI: InChI=1/C6H14BNO4/c8-5(6(9)10)3-1-2-4-7(11)12/h5,11-12H,1-4,8H2,(H,9,10)
(3)InChIKey: HFKKMXCOJQIYAH-UHFFFAOYAS

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