N-Boc-N'-allyloxycarbonyl-L-2,4-diaminobutyric acid dicyclohexylamine salt supplier

Name
Boc-Dab(Aloc)-OH DCHA
EINECS
CAS No. 327156-92-3
Density
Solubility
Melting Point
Formula C₂₅H₄₅N₃O₆
Boiling Point 651.1 °C at 760 mmHg
Molecular Weight 483.64
Flash Point 347.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-α-Boc-N-γ-allyloxycarbonyl-L-2,4-diaminobutyric acid dicyclohexylamine salt;N-α-Boc-N-γ-allyloxycarbonyl-L-2,4-diaminobutyricaciddicyclohexylaminesalt;Boc-Dab(Alloc)-OH;(2S)-2-[(tert-butoxycarbonyl)amino]-4-{[(prop-2-en-1-yloxy)carbonyl]amino}butanoic acid - N-cyclohexylcyclohexanamine (1:1);Boc-Dab(Alloc)-OH (dicyclohexylammonium) salt;Boc-Dab(Alloc)-OH dicyclohexylamine salt;Nα-Boc-Nγ-Alloc-L-2,4-diaminobutyric acid dicyclohexylamine salt;
PSA 125.99000
LogP 5.68070

N-Boc-N'-allyloxycarbonyl-L-2,4-diaminobutyric acid dicyclohexylamine salt Specification

The Boc-Dab(Aloc)-OH DCHA, with the CAS registry number 327156-92-3, has the systematic name of (2S)-2-[(tert-butoxycarbonyl)amino]-4-{[(prop-2-en-1-yloxy)carbonyl]amino}butanoic acid - N-cyclohexylcyclohexanamine (1:1). And the molecular formula of the chemical is C₂₅H₄₅N₃O₆.

The characteristics of Boc-Dab(Aloc)-OH DCHA are as followings: (1)ACD/LogP: 5.81; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 9; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 12; (6)Polar Surface Area: 88.62 Å²; (7)Flash Point: 347.6 °C; (8)Enthalpy of Vaporization: 104.66 kJ/mol; (9)Boiling Point: 651.1 °C at 760 mmHg; (10)Vapour Pressure: 1.25E-18 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)OC(C)(C)C)CCNC(=O)OC\C=C.N(C1CCCCC1)C2CCCCC2
(2)InChI: InChI=1/C13H22N2O6.C12H23N/c1-5-8-20-11(18)14-7-6-9(10(16)17)15-12(19)21-13(2,3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5,9H,1,6-8H2,2-4H3,(H,14,18)(H,15,19)(H,16,17);11-13H,1-10H2/t9-;/m0./s1
(3)InChIKey: YICPGWNKDOPUOG-FVGYRXGTBT

Product Name

Boc-Dab(Aloc)-OH DCHA

N-Boc-N'-allyloxycarbonyl-L-2,4-diaminobutyric acid dicyclohexylamine salt Specification

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