CAS No.3392-09-4,BOC-LEU-OSU Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3392-09-4
Name:	BOC-LEU-OSU
Article Data:	25

Formula:	C₁₅H₂₄N₂O₆
Molecular Weight:	328.365
Synonyms:	Succinimide, N-[(N-carboxy-L-leucyl)oxy]-, tert-butyl ester(7CI,8CI);Leucine, N-carboxy-, N-tert-butyl ester, O-succinimido deriv., L-(8CI);N-(tert-Butyloxycarbonyl)-L-leucine ester with N-hydroxysuccinimide;N-tert-Butyloxycarbonyl-L-leucine N-hydroxysuccinimide ester;tert-Butyloxycarbonyl-L-leucine N-hydroxysuccinimide ester;
EINECS:	222-232-3
Density:	1.2 g/cm³
Melting Point:	110-113 °C(lit.)
PSA:	102.01000
LogP:	1.86180

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Specification

The L-Leucine,N-[(1,1-dimethylethoxy)carbonyl]-, 2,5-dioxo-1-pyrrolidinyl ester, with the CAS registry number 3392-09-4, is also known as N-(tert-Butoxycarbonyl)-L-leucine N-hydroxysuccin. It belongs to the product categories of Aminoacids Derivatives and Amino Acid Derivatives. Its EINECS registry number is 222-232-3. This chemical's molecular formula is C₁₅H₂₄N₂O₆ and molecular weight is 328.36. What's more, its IUPAC name is (2,5-Dioxopyrrolidin-1-yl)4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate and systematic name is called 2,5-Dioxopyrrolidin-1-yl N-(tert-butoxycarbonyl)-L-leucinate.

Physical properties about L-Leucine,N-[(1,1-dimethylethoxy)carbonyl]-, 2,5-dioxo-1-pyrrolidinyl ester are: (1) ACD/LogD (pH 7.4): 0.99; (2) ACD/BCF (pH 5.5): 3.33; (3) ACD/BCF (pH 7.4): 3.33; (4) ACD/KOC (pH 5.5): 82.33; (5) ACD/KOC (pH 7.4): 82.3; (6) #H bond acceptors: 8; (7) #H bond donors: 1; (8) # of Rule of 5 Violations: 0; (9) ACD/LogD (pH 5.5): 0.99; (10) ACD/LogD (pH 7.4): 0.99; (11) #Freely Rotating Bonds: 8; (12) Polar Surface Area: 93.22 Å²; (13) Index of Refraction: 1.504; (14) Molar Refractivity: 80.89 cm³; (15) Molar Volume: 273.1 cm³; (16) Surface Tension: 45.4 dyne/cm; (17) Density: 1.2 g/cm³; (18) Melting Point: 110-113 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1CCC(=O)N1OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C
(2) InChI: InChI=1/C15H24N2O6/c1-9(2)8-10(16-14(21)22-15(3,4)5)13(20)23-17-11(18)6-7-12(17)19/h9-10H,6-8H2,1-5H3,(H,16,21)/t10-/m0/s1
(3) InChIKey: WXRGJQZMGGGTSS-JTQLQIEIBK