Home Other Building Blocks 2-(3-{hexahydro-1H-pyrrolo[2,1-c]morpholin-3-yl}-1H-1,2,4-triazol-5-yl)ethan-1-amine dihydrochloride

2-(3-{hexahydro-1H-pyrrolo[2,1-c]morpholin-3-yl}-1H-1,2,4-triazol-5-yl)ethan-1-amine dihydrochloride

CAS No.:
1803570-82-2
Catalog Number:
AG01BG0Q
Molecular Formula:
C11H21Cl2N5O
Molecular Weight:
310.2233
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Product Description
Catalog Number:
AG01BG0Q
Chemical Name:
2-(3-{hexahydro-1H-pyrrolo[2,1-c]morpholin-3-yl}-1H-1,2,4-triazol-5-yl)ethan-1-amine dihydrochloride
CAS Number:
1803570-82-2
Molecular Formula:
C11H21Cl2N5O
Molecular Weight:
310.2233
MDL Number:
MFCD28118791
IUPAC Name:
2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1H-1,2,4-triazol-5-yl]ethanamine;dihydrochloride
InChI:
InChI=1S/C11H19N5O.2ClH/c12-4-3-10-13-11(15-14-10)9-6-16-5-1-2-8(16)7-17-9;;/h8-9H,1-7,12H2,(H,13,14,15);2*1H
InChI Key:
OOAHPJJACKCBKW-UHFFFAOYSA-N
SMILES:
NCCc1[nH]nc(n1)C1OCC2N(C1)CCC2.Cl.Cl
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.112g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
310.223g/mol
Monoisotopic Mass:
309.112g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
80.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties