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1217481-78-1

1217481-78-1 | 1H-Indole-3-propanoic acid, α-azido-, compd. with cyclohexanamine (1:1), (αS)-

CAS No: 1217481-78-1 Catalog No: AG0015PN MDL No:

Product Description

Catalog Number:
AG0015PN
Chemical Name:
1H-Indole-3-propanoic acid, α-azido-, compd. with cyclohexanamine (1:1), (αS)-
CAS Number:
1217481-78-1
Molecular Formula:
C17H23N5O2
Molecular Weight:
329.3968
IUPAC Name:
(2S)-2-azido-3-(1H-indol-3-yl)propanoic acid;cyclohexanamine
InChI:
InChI=1S/C11H10N4O2.C6H13N/c12-15-14-10(11(16)17)5-7-6-13-9-4-2-1-3-8(7)9;7-6-4-2-1-3-5-6/h1-4,6,10,13H,5H2,(H,16,17);6H,1-5,7H2/t10-;/m0./s1
InChI Key:
CONRNQTWYKMOCC-PPHPATTJSA-N
SMILES:
NC1CCCCC1.[N-]=[N+]=N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2

Properties

Complexity:
387  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
329.185g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
329.404g/mol
Monoisotopic Mass:
329.185g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
93.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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