Boc-D-2,4-diaminobutyric acid supplier

Name
Boc-D-2,4-diaminobutyric acid
EINECS 1533716-785-6
CAS No. 80445-78-9
Article Data23
CAS DataBase
Density 1.16 g/cm³
Solubility
Melting Point 250 °C (decomp)
Formula C₉H₁₈N₂O₄
Boiling Point 388.238 °C at 760 mmHg
Molecular Weight 218.253
Flash Point 188.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-amino-4-[(tert-butoxycarbonyl)amino]butanoic acid;butanoic acid, 2-amino-4-[[(1,1-dimethylethoxy)carbonyl]amino]-;Boc-D-2,4-Diaminobutyric acid;Boc-DAB-OH;Boc-L-2,4-Diaminobutyric acid;
PSA 101.65000
LogP 1.40430

Boc-D-2,4-diaminobutyric acid Specification

The Boc-D-2,4-diaminobutyric acid, with the CAS registry number 80445-78-9, has the systematic name of 2-amino-4-[(tert-butoxycarbonyl)amino]butanoic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₉H₁₈N₂O₄.

The characteristics of Boc-D-2,4-diaminobutyric acid are as followings: (1)ACD/LogP: 0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 101.65 Å²; (11)Index of Refraction: 1.487; (12)Molar Refractivity: 54.139 cm³; (13)Molar Volume: 188.122 cm³; (14)Polarizability: 21.462×10^-24cm³; (15)Surface Tension: 44.622 dyne/cm; (16)Density: 1.16 g/cm³; (17)Flash Point: 188.6 °C; (18)Enthalpy of Vaporization: 69.972 kJ/mol; (19)Boiling Point: 388.238 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)(C)OC(=O)NCCC(N)C(O)=O
(2)InChI: InChI=1/C9H18N2O4/c1-9(2,3)15-8(14)11-5-4-6(10)7(12)13/h6H,4-5,10H2,1-3H3,(H,11,14)(H,12,13)
(3)InChIKey: ICJFZQLAIOCZNG-UHFFFAOYAD

Product Name

Boc-D-2,4-diaminobutyric acid

Boc-D-2,4-diaminobutyric acid Specification

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