Home Carbonyls L-Threonine, N-[(1,1-dimethylethoxy)carbonyl]-, compd. withN-cyclohexylcyclohexanamine (1:1)

L-Threonine, N-[(1,1-dimethylethoxy)carbonyl]-, compd. withN-cyclohexylcyclohexanamine (1:1)

CAS No.:
13564-70-0
Catalog Number:
AG00HUBA
Molecular Formula:
C21H40N2O5
Molecular Weight:
400.5527
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Product Description
Catalog Number:
AG00HUBA
Chemical Name:
L-Threonine, N-[(1,1-dimethylethoxy)carbonyl]-, compd. withN-cyclohexylcyclohexanamine (1:1)
CAS Number:
13564-70-0
Molecular Formula:
C21H40N2O5
Molecular Weight:
400.5527
MDL Number:
MFCD00038976
IUPAC Name:
N-cyclohexylcyclohexanamine;(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI:
InChI=1S/C12H23N.C9H17NO5/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(11)6(7(12)13)10-8(14)15-9(2,3)4/h11-13H,1-10H2;5-6,11H,1-4H3,(H,10,14)(H,12,13)/t;5-,6+/m.1/s1
InChI Key:
BBZZIJOSFVOUGF-BCBTXJGPSA-N
SMILES:
C1CCC(CC1)NC1CCCCC1.O=C(OC(C)(C)C)N[C@H](C(=O)O)[C@H](O)C
EC Number:
236-954-1
Properties
Complexity:
361  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
400.294g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
400.56g/mol
Monoisotopic Mass:
400.294g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties