CAS No.261165-04-2,(S)-N-Boc-Styrylalanine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	261165-04-2
Name:	(S)-N-Boc-Styrylalanine

Formula:	C₁₆H₂₁NO₄
Molecular Weight:	291.15
Synonyms:	BOC-L-STYRYLALANINE-DCHA;BOC-L-STYRYLALANINE DCHA SALT;BOC-ALA(STYR)-OH DCHA;BOC-ALA(STYRYL)-OH DCHA;BOC-3-STYRYL-L-ALANINE DICYCLOHEXYLAMINE SALT;N-ALPHA-T-BUTOXYCARBONYL-3-STYRYL-L-ALANINE DICYCLOHEXYLAMMONIUM SALT;RARECHEM BK PT 0178;(S)-3-(BOC-AMINO)-5-PHENYL-4-PENTENOIC ACID DICYCLOHEXYLAMINE SALT
Density:	1.15g/cm³
Boiling Point:	498.1°C at 760 mmHg
Flash Point:	255.1°C
Appearance:	white powder
Hazard Symbols:	R22:; R51/53:;
Risk Codes:	Xn:Harmful; Xn:Harmful;
Safety:	24/25-61
PSA:	87.66000
LogP:	7.09100

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Chemistry

Molecular Structure of Boc-L-Styrylalanine dicyclohexylamine salt (CAS No.261165-04-2):

Molecular Formula: C₁₆H₂₁NO₄.C₁₂H₂₃N
Molecular Weight: 472.66
CAS No: 261165-04-2
H bond acceptors: 6
H bond donors: 3
Freely Rotating Bonds: 9
Polar Surface Area: 87.66 Å²
Flash Point: 349.5 °C
Enthalpy of Vaporization: 101.27 kJ/mol
Boiling Point: 654.3 °C at 760 mmHg
Vapour Pressure: 5.17E-18 mmHg at 25°C
Systematic Name: (2S,4E)-2-[(tert-Butoxycarbonyl)amino]-5-phenylpent-4-enoic acid - N-cyclohexylcyclohexanamine (1:1)
InChI: InChI=1/C₁₆H₂₁NO₄.C₁₂H₂₃N/c1-16(2,3)21-15(20)17-13(14(18)19)11-7-10-12-8-5-4-6-9-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-10,13H,11H2,1-3H3,(H,17,20)(H,18,19);11-13H,1-10H2/b10-7+;/t13-;/m0./s1
InChIKey: XFECITMZVLWAJB-LIGCKOFKBG
Std. InChI: InChI=1S/C₁₆H₂₁NO₄.C₁₂H₂₃N/c1-16(2,3)21-15(20)17-13(14(18)19)11-7-10-12-8-5-4-6-9-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-10,13H,11H2,1-3H3,(H,17,20)(H,18,19);11-13H,1-10H2/b10-7+;/t13-;/m0./s1
Std. InChIKey: XFECITMZVLWAJB-LIGCKOFKSA-N
Product Categories: Amino Acids;Phenylalanine analogs and other aromatic alpha amino acids;Amino Acid Derivatives;a-amino

Safety Profile

Hazard Codes: Harmful Xn, Dangerous N
Risk Statements: 22-51/53
R22:Harmful if swallowed.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 24/25-61
S24/25:Avoid contact with skin and eyes.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN 3077 9/PG 3

Specification

Boc-L-Styrylalanine dicyclohexylamine salt (CAS No.261165-04-2), its synonyms are Boc-L-Styrylalanine-DCHA ; (S)-3-(Boc-amino)-5-phenyl-4-pentenoic acid dicyclohexylamine salt ; Boc-3-styryl-L-alanine dicyclohexylamine salt ; Boc-beta-styryl-Ala-OH dicyclohexylamine salt .