Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Boc-L-2,4-diaminobutyric acid |
EINECS | 624-609-1 |
CAS No. | 25691-37-6 | Density | 1.16 g/cm3 |
PSA | 101.65000 | LogP | 1.40430 |
Solubility | N/A | Melting Point |
192-194 °C |
Formula | C9H18N2O4 | Boiling Point | 385.5 °C at 760 mmHg |
Molecular Weight | 218.253 | Flash Point | 186.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-39 | Risk Codes | 38-41 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Butanoicacid, 4-amino-2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (S)-;Butyric acid,4-amino-2-(carboxyamino)-, N-tert-butyl ester, L- (8CI);(S)-4-Amino-2-(tert-butoxycarbonylamino)butanoic acid;Boc-Dab-OH; |
Article Data | 21 |
This chemical is called Butanoic acid, 4-amino-2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2S)-, and its CAS registry number is 25691-37-6. With the molecular formula of C9H18N2O4, its molecular weight is 218.25.
Other characteristics of the Butanoic acid, 4-amino-2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2S)- can be summarised as followings: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.76; (4)ACD/LogD (pH 7.4): -1.76; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 66.84 Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 54.13 cm3; (15)Molar Volume: 188.1 cm3; (16)Polarizability: 21.46×10-24cm3; (17)Surface Tension: 44.6 dyne/cm; (18)Density: 1.16 g/cm3; (19)Flash Point: 186.9 °C; (20)Enthalpy of Vaporization: 69.63 kJ/mol; (21)Boiling Point: 385.5 °C at 760 mmHg; (22)Vapour Pressure: 5.18E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC(C)(C)C)N[C@H](C([O-])=O)CC[NH3+]
2.InChI: InChI=1/C9H18N2O4/c1-9(2,3)15-8(14)11-6(4-5-10)7(12)13/h6H,4-5,10H2,1-3H3,(H,11,14)(H,12,13)/t6-/m0/s1
3.InChIKey: MDCPCLPRWLKUIQ-LURJTMIEBA