Home Other Building Blocks rac-4-[(3R,4R)-4-methoxypyrrolidin-3-yl]-1-methyl-1H-1,2,3-triazole dihydrochloride, trans

rac-4-[(3R,4R)-4-methoxypyrrolidin-3-yl]-1-methyl-1H-1,2,3-triazole dihydrochloride, trans

CAS No.:
2044706-32-1
Catalog Number:
AG01BVFX
Molecular Formula:
C8H16Cl2N4O
Molecular Weight:
255.1448
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Product Description
Catalog Number:
AG01BVFX
Chemical Name:
rac-4-[(3R,4R)-4-methoxypyrrolidin-3-yl]-1-methyl-1H-1,2,3-triazole dihydrochloride, trans
CAS Number:
2044706-32-1
Molecular Formula:
C8H16Cl2N4O
Molecular Weight:
255.1448
MDL Number:
MFCD30478139
IUPAC Name:
4-[(3S,4S)-4-methoxypyrrolidin-3-yl]-1-methyltriazole;dihydrochloride
InChI:
InChI=1S/C8H14N4O.2ClH/c1-12-5-7(10-11-12)6-3-9-4-8(6)13-2;;/h5-6,8-9H,3-4H2,1-2H3;2*1H/t6-,8+;;/m0../s1
InChI Key:
NJAFKGFCCKNNBM-OQUWVHHMSA-N
SMILES:
CO[C@@H]1CNC[C@H]1c1nnn(c1)C.Cl.Cl
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
254.07g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
255.143g/mol
Monoisotopic Mass:
254.07g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties