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1228077-87-9 | Propanoic acid, 2-azido-3-(1,1-dimethylethoxy)-, compd. with cyclohexanamine (1:1), (2S)-
CAS No: 1228077-87-9 Catalog No: AG000JIX MDL No:
Product Description
Catalog Number:
AG000JIX
Chemical Name:
Propanoic acid, 2-azido-3-(1,1-dimethylethoxy)-, compd. with cyclohexanamine (1:1), (2S)-
CAS Number:
1228077-87-9
Molecular Formula:
C13H26N4O3
Molecular Weight:
286.3705
IUPAC Name:
(2S)-2-azido-3-[(2-methylpropan-2-yl)oxy]propanoic acid;cyclohexanamine
InChI:
InChI=1S/C7H13N3O3.C6H13N/c1-7(2,3)13-4-5(6(11)12)9-10-8;7-6-4-2-1-3-5-6/h5H,4H2,1-3H3,(H,11,12);6H,1-5,7H2/t5-;/m0./s1
InChI Key:
KUVVCFAAYOBPAV-JEDNCBNOSA-N
SMILES:
NC1CCCCC1.[N-]=[N+]=N[C@H](C(=O)O)COC(C)(C)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
286.2g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.376g/mol
Monoisotopic Mass:
286.2g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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