Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzyloxycarbonylalanine chloromethyl ketone |
EINECS | N/A |
CAS No. | 41036-43-5 | Density | 1.22 g/cm3 |
PSA | 58.89000 | LogP | 2.31360 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H14ClNO3 | Boiling Point | 400.4 °C at 760 mmHg |
Molecular Weight | 255.701 | Flash Point | 195.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Carbamicacid, (3-chloro-1-methyl-2-oxopropyl)-, phenylmethyl ester, (S)-;Carbamicacid, [(1S)-3-chloro-1-methyl-2-oxopropyl]-, phenylmethyl ester (9CI);N-(Benzyloxycarbonyl)-L-alanine chloromethyl ketone;N-Benzyloxycarbonyl-L-alanyl chloromethylketone; |
Article Data | 7 |
The CAS register number of Benzyloxycarbonylalanine chloromethyl ketone is 41036-43-5. It also can be called as Carbamic acid,N-[(1S)-3-chloro-1-methyl-2-oxopropyl]-, phenylmethyl ester and the IUPAC name about this chemical is benzyl N-[(2S)-4-chloro-3-oxobutan-2-yl]carbamate. The molecular formula about this chemical is C12H14ClNO3 and the molecular weight is 255.697460 g/mol. This chemical can inhibit the processing of prolipoprotein of E coli.
Physical properties about Benzyloxycarbonylalanine chloromethyl ketone are: (1)ACD/LogP: 2.67; (2)ACD/LogD (pH 5.5): 2.67; (3)ACD/LogD (pH 7.4): 2.67; (4)ACD/BCF (pH 5.5): 62.59; (5)ACD/BCF (pH 7.4): 62.56; (6)ACD/KOC (pH 5.5): 672.27; (7)ACD/KOC (pH 7.4): 671.99; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 46.61Å2; (12)Index of Refraction: 1.528; (13)Molar Refractivity: 64.54 cm3; (14)Molar Volume: 209.4 cm3; (15)Polarizability: 25.58x10-24cm3; (16)Surface Tension: 43 dyne/cm; (17)Enthalpy of Vaporization: 65.12 kJ/mol; (18)Boiling Point: 400.4 °C at 760 mmHg; (19)Vapour Pressure: 1.28E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(=O)[C@@H](NC(=O)OCc1ccccc1)C
(2)InChI: InChI=1/C12H14ClNO3/c1-9(11(15)7-13)14-12(16)17-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,16)/t9-/m0/s1
(3)InChIKey: ASDQMJAOUJQRCM-VIFPVBQEBH
(4)Std. InChI: InChI=1S/C12H14ClNO3/c1-9(11(15)7-13)14-12(16)17-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,16)/t9-/m0/s1
(5)Std. InChIKey: ASDQMJAOUJQRCM-VIFPVBQESA-N