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87720-54-5

Basic Information
CAS No.: 87720-54-5
Name: BOC-4,5-DEHYDRO-LEU-OH DCHA
Molecular Structure:
Molecular Structure of 87720-54-5 (BOC-4,5-DEHYDRO-LEU-OH DCHA)
Formula: C23H42N2O4
Molecular Weight: 410.59
Synonyms: Boc-4,5-dehydro-Leu-OH (dicyclohexylammonium) salt;(S)-2-(Boc-amino)-4-methyl-4-pentenoic acid dicyclohexylamine salt;
Melting Point: 148-153oC
Boiling Point: 365 °C at 760 mmHg
Flash Point: 174.5 °C
Hazard Symbols: Xn,N
Risk Codes: 22-41-37/38-50/53
Safety: 26-39-60-61
Transport Information: UN3077
PSA: 87.66000
LogP: 5.95370
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  • BOC-4,5-DEHYDRO-LEU-OH DCHA  87720-54-5 C23H42N2O4

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Specification

This chemical is called Boc-4,5-dehydro-Leu-OH.DCHA, and it can also be named as Boc-4,5-dehydro-L-leucine dicyclohexylamine salt. With the molecular formula of C23H42N2O4, its molecular weight is 410.59. The CAS registry number of this chemical is 87720-54-5. In addition, this chemical should be stored at the temperature of -15 °C.

Other characteristics of the Boc-4,5-dehydro-Leu-OH.DCHA can be summarised as followings: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.5; (4)ACD/LogD (pH 7.4): -0.97; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.94; (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: 174.5 °C; (14)Enthalpy of Vaporization: 67.13 kJ/mol; (15)Boiling Point: 365 °C at 760 mmHg; (16)Vapour Pressure: 2.53E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful if swallowed. It's irritating to respiratory system and skin. Wear eye / face protection. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. Additionally, it's very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Avoid releasing it to the environment. Refer to special instructions / safety data sheets. This material and its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(O)[C@@H](NC(=O)OC(C)(C)C)CC(=C)\C.N(C1CCCCC1)C2CCCCC2
2.InChI: InChI=1/C12H23N.C11H19NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h11-13H,1-10H2;8H,1,6H2,2-5H3,(H,12,15)(H,13,14)/t;8-/m.0/s1
3.InChIKey: ZRIOKRZSXPPREV-WDBKTSHHBS