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1217459-14-7 | Butanoic acid, 4-azido-2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2S)-, compd. with N-cyclohexylcyclohexanamine (1:1)
CAS No: 1217459-14-7 Catalog No: AG0015OO MDL No:
Product Description
Catalog Number:
AG0015OO
Chemical Name:
Butanoic acid, 4-azido-2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2S)-, compd. with N-cyclohexylcyclohexanamine (1:1)
CAS Number:
1217459-14-7
Molecular Formula:
C21H39N5O4
Molecular Weight:
425.5655
IUPAC Name:
(2S)-4-azido-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;N-cyclohexylcyclohexanamine
InChI:
InChI=1S/C12H23N.C9H16N4O4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-9(2,3)17-8(16)12-6(7(14)15)4-5-11-13-10/h11-13H,1-10H2;6H,4-5H2,1-3H3,(H,12,16)(H,14,15)/t;6-/m.0/s1
InChI Key:
UCLAYMPJMDBLOX-ZCMDIHMWSA-N
SMILES:
C1CCC(CC1)NC1CCCCC1.OC(=O)[C@@H](NC(=O)OC(C)(C)C)CCN=[N+]=[N-]
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
425.3g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
425.574g/mol
Monoisotopic Mass:
425.3g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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