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Z-LEU-OH DCHA(CAS No. 53363-87-4)

Z-LEU-OH DCHA C26H42N2O4 (cas 53363-87-4) Molecular Structure

53363-87-4 Structure

Identification and Related Records

【Name】
Z-LEU-OH DCHA
【Iupac name】
N-cyclohexylcyclohexanamine;
4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
【CAS Registry number】
53363-87-4
【Synonyms】
N-CARBOBENZOXY-L-LEUCINE DICYCLOHEXYLAMINE SALT
N-ALPHA-CARBOBENZOXY-L-LEUCINE-DICYCLOHEXYLAMMONIUM SALT
N-ALPHA-CBZ-L-LEUCINE DICYCLOHEXYLAMMONIUM SALT
Z-L-LEUCINE DCHA
Z-L-LEUCINE DICYCLOHEXYLAMMONIUM SALT
Z-L-LEU-OH DCHA
Z-LEU-OH DCHA
CBZ-L-LEUCINE DCHA
【EINECS(EC#)】
258-497-7
【Molecular Formula】
C26H42N2O4 (Products with the same molecular formula)
【Molecular Weight】
446.6227
【Inchi】
InChI=1/C14H19NO4.C12H23N/c1-10(2)8-12(13(16)17)15-14(18)19-9-11-6-4-3-5-7-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17);11-13H,1-10H2
【Canonical SMILES】
CC(C)CC(C(=O)O)NC(=O)OCC1=CC=CC=C1.C1CCC(CC1)NC2CCCCC2
【MOL File】
53363-87-4.mol

Chemical and Physical Properties

【Density】
g/cm3
【Boiling Point】
442.8 °C at 760 mmHg
【Flash Point】
221.6 °C
【Storage temp】
Store at 0-5°C
【Computed Properties】
Molecular Weight:446.62268 [g/mol]
Molecular Formula:C26H42N2O4
H-Bond Donor:3
H-Bond Acceptor:5
Rotatable Bond Count:9
Tautomer Count:2
Exact Mass:446.314458
MonoIsotopic Mass:446.314458
Topological Polar Surface Area:87.7
Heavy Atom Count:32
Formal Charge:0
Complexity:414
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

Safety and Handling

【Specification】

The extinguishing agent of N-(Benzyloxycarbonyl)-L-leucine, compound with dicyclohexylamine (1:1) (CAS NO.53363-87-4) are dry powder, foam, sand, carbon dioxide, water mist.

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