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18942-50-2 | L-Serine, N-[(1,1-dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-, compd. with N-cyclohexylcyclohexanamine (1:1)
CAS No: 18942-50-2 Catalog No: AG002DNG MDL No:MFCD00065590
Product Description
Catalog Number:
AG002DNG
Chemical Name:
L-Serine, N-[(1,1-dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-, compd. with N-cyclohexylcyclohexanamine (1:1)
CAS Number:
18942-50-2
Molecular Formula:
C24H46N2O5
Molecular Weight:
442.6324
MDL Number:
MFCD00065590
IUPAC Name:
N-cyclohexylcyclohexanamine;(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C12H23NO5.C12H23N/c1-11(2,3)17-7-8(9(14)15)13-10(16)18-12(4,5)6;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8H,7H2,1-6H3,(H,13,16)(H,14,15);11-13H,1-10H2/t8-;/m0./s1
InChI Key:
AIEUUHIXSUNTGV-QRPNPIFTSA-N
SMILES:
C1CCC(CC1)NC1CCCCC1.O=C(OC(C)(C)C)N[C@H](C(=O)O)COC(C)(C)C
EC Number:
606-178-1
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
442.341g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
442.641g/mol
Monoisotopic Mass:
442.341g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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