Home Carboxys tert-Butyl 3-(piperazin-1-yl)azetidine-1-carboxylate dihydrochloride

tert-Butyl 3-(piperazin-1-yl)azetidine-1-carboxylate dihydrochloride

CAS No.:
2061980-49-0
Catalog Number:
AG01EN2A
Molecular Formula:
C12H25Cl2N3O2
Molecular Weight:
314.2518
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Product Description
Catalog Number:
AG01EN2A
Chemical Name:
tert-Butyl 3-(piperazin-1-yl)azetidine-1-carboxylate dihydrochloride
CAS Number:
2061980-49-0
Molecular Formula:
C12H25Cl2N3O2
Molecular Weight:
314.2518
MDL Number:
MFCD30609577
IUPAC Name:
tert-butyl 3-piperazin-1-ylazetidine-1-carboxylate;dihydrochloride
InChI:
InChI=1S/C12H23N3O2.2ClH/c1-12(2,3)17-11(16)15-8-10(9-15)14-6-4-13-5-7-14;;/h10,13H,4-9H2,1-3H3;2*1H
InChI Key:
PZRALZLWTQGVNT-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C1)N1CCNCC1)OC(C)(C)C.Cl.Cl
Properties
Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.132g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
314.251g/mol
Monoisotopic Mass:
313.132g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties