(S)-4-[[(tert-Butoxy)carbonyl]amino]-5-[[(tert-butyl)dimethylsilyl]oxy]pentanoic acid methyl ester supplier

Name
(S)-METHYL 4-(BOC-AMINO)-5-TBDMS-PENTANOATE
EINECS
CAS No. 96014-55-0
Article Data4
CAS DataBase
Density 0.983g/cm³
Solubility
Melting Point
Formula C₁₇H₃₅NO₅Si
Boiling Point 408.1 °C at 760 mmHg
Molecular Weight 361.554
Flash Point 200.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (S)-METHYL 4-(BOC-AMINO)-5-TBDMS-PENTANOATE;(S)-METHYL 4-(TERT-BUTOXYCARBONYLAMINO)-5-(TERT-BUTYLDIMETHYLSILYLOXY) PENTANOATE;(S)-4-[[(tert-Butoxy)carbonyl]amino]-5-[[(tert-butyl)dimethylsilyl]oxy]pentanoic acid methyl ester
PSA 73.86000
LogP 4.24560

(S)-4-[[(tert-Butoxy)carbonyl]amino]-5-[[(tert-butyl)dimethylsilyl]oxy]pentanoic acid methyl ester Specification

The (S)-4-[[(tert-Butoxy)carbonyl]amino]-5-[[(tert-butyl)dimethylsilyl]oxy]pentanoic acid methyl ester, with CAS registry number 96014-55-0, has the systematic name of pentanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, methyl ester, (4S)-. Its molecular weight is 361.55. And the chemical formula of this chemical is C₁₇H₃₅NO₅Si.

Physical properties of (S)-4-[[(tert-Butoxy)carbonyl]amino]-5-[[(tert-butyl)dimethylsilyl]oxy]pentanoic acid methyl ester: (1)ACD/LogP: 4.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.66; (4)ACD/LogD (pH 7.4): 4.66; (5)ACD/BCF (pH 5.5): 2042.56; (6)ACD/BCF (pH 7.4): 2042.46; (7)ACD/KOC (pH 5.5): 8147.4; (8)ACD/KOC (pH 7.4): 8147.03; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 73.86 Å²; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 98.3 cm³; (15)Molar Volume: 367.5 cm³; (16)Polarizability: 38.97×10^-24cm³; (17)Surface Tension: 28.9 dyne/cm; (18)Density: 0.983 g/cm³; (19)Flash Point: 200.6 °C; (20)Enthalpy of Vaporization: 66.01 kJ/mol; (21)Boiling Point: 408.1 °C at 760 mmHg; (22)Vapour Pressure: 7.16E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N[C@@H](CCC(=O)OC)CO[Si](C)(C)C(C)(C)C
(2)InChI: InChI=1/C17H35NO5Si/c1-16(2,3)23-15(20)18-13(10-11-14(19)21-7)12-22-24(8,9)17(4,5)6/h13H,10-12H2,1-9H3,(H,18,20)/t13-/m0/s1
(3)InChIKey: BTKLPINUUIACIA-ZDUSSCGKBH
(4)Std. InChI: InChI=1S/C17H35NO5Si/c1-16(2,3)23-15(20)18-13(10-11-14(19)21-7)12-22-24(8,9)17(4,5)6/h13H,10-12H2,1-9H3,(H,18,20)/t13-/m0/s1
(5)Std. InChIKey: BTKLPINUUIACIA-ZDUSSCGKSA-N

Product Name

(S)-METHYL 4-(BOC-AMINO)-5-TBDMS-PENTANOATE

(S)-4-[[(tert-Butoxy)carbonyl]amino]-5-[[(tert-butyl)dimethylsilyl]oxy]pentanoic acid methyl ester Specification

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