Boc-L-2-allylglycine dicyclohexylamine salt supplier

Name
Boc-L-2-allylglycine dicyclohexylamine salt
EINECS
CAS No. 143979-15-1
Article Data1
CAS DataBase
Density 1.108g/cm³
Solubility
Melting Point
Formula C₁₀H₁₇NO₄^.C₁₂H₂₃N
Boiling Point 352 °C at 760 mmHg
Molecular Weight 396.56
Flash Point 166.7 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms Boc-L-Allylglycine·DCHA;Boc-L-Allylglycine.DCHA;N-tert-Butoxycarbonyl-L-Allyl Glycine;Boc-L-Allylglycine dicyclohexylamine salt;
PSA 87.66000
LogP 5.56360

Boc-L-2-allylglycine dicyclohexylamine salt Specification

The systematic name of Boc-L-2-allylglycine dicyclohexylamine salt is (2S)-2-[(tert-butoxycarbonyl)amino]pent-4-enoic acid - N-cyclohexylcyclohexanamine (1:1). With the CAS registry number 143979-15-1, it is also named as (S)-2-(Boc-amino)-4-pentenoic acid dicyclohexylamine salt. The product's categories are Amino Acids; Unusual amino acids; Amino Acid Derivatives; A-amino. In addition, its molecular formula is C₁₀H₁₇NO₄^.C₁₂H₂₃N and molecular weight is 396.56. This chemical should be stored at 0 °C.

The other characteristics of Boc-L-2-allylglycine dicyclohexylamine salt can be summarized as: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.07; (4)ACD/LogD (pH 7.4): -1.52; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.41; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.84 Å²; (13)Flash Point: 166.7 °C; (14)Enthalpy of Vaporization: 65.56 kJ/mol; (15)Boiling Point: 352 °C at 760 mmHg; (16)Vapour Pressure: 6.73E-06 mmHg at 25 °C

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)[C@@H](NC(=O)OC(C)(C)C)C\C=C.N(C1CCCCC1)C2CCCCC2
(2)InChI: InChI=1/C12H23N.C10H17NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h11-13H,1-10H2;5,7H,1,6H2,2-4H3,(H,11,14)(H,12,13)/t;7-/m.0/s1
(3)InChIKey: VMCGMPITVQIMGK-ZLTKDMPEBT
(4)Std. InChI: InChI=1S/C12H23N.C10H17NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h11-13H,1-10H2;5,7H,1,6H2,2-4H3,(H,11,14)(H,12,13)/t;7-/m.0/s1
(5)Std. InChIKey: VMCGMPITVQIMGK-ZLTKDMPESA-N

Product Name

Boc-L-2-allylglycine dicyclohexylamine salt

Boc-L-2-allylglycine dicyclohexylamine salt Specification

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