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27494-47-9 | Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (R)-, compd. with N-cyclohexylcyclohexanamine (1:1) (9CI)
CAS No: 27494-47-9 Catalog No: AG002TXL MDL No:MFCD00235886
Product Description
Catalog Number:
AG002TXL
Chemical Name:
Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (R)-, compd. with N-cyclohexylcyclohexanamine (1:1) (9CI)
CAS Number:
27494-47-9
Molecular Formula:
C21H40N2O4
Molecular Weight:
384.5533
MDL Number:
MFCD00235886
IUPAC Name:
N-cyclohexylcyclohexanamine;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI:
InChI=1S/C12H23N.C9H17NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5-6(7(11)12)10-8(13)14-9(2,3)4/h11-13H,1-10H2;6H,5H2,1-4H3,(H,10,13)(H,11,12)/t;6-/m.1/s1
InChI Key:
HOSMYZXDFVUSCV-FCXZQVPUSA-N
SMILES:
C1CCC(CC1)NC1CCCCC1.CC[C@H](C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
384.299g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
384.561g/mol
Monoisotopic Mass:
384.299g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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