Home Carboxys tert-butyl 3-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]azetidine-1-carboxylate hydrochloride

tert-butyl 3-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]azetidine-1-carboxylate hydrochloride

CAS No.:
2137640-21-0
Catalog Number:
AG01EJO3
Molecular Formula:
C11H20ClN5O2
Molecular Weight:
289.7618
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Product Description
Catalog Number:
AG01EJO3
Chemical Name:
tert-butyl 3-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]azetidine-1-carboxylate hydrochloride
CAS Number:
2137640-21-0
Molecular Formula:
C11H20ClN5O2
Molecular Weight:
289.7618
MDL Number:
MFCD31421731
IUPAC Name:
tert-butyl 3-[4-(aminomethyl)triazol-1-yl]azetidine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C11H19N5O2.ClH/c1-11(2,3)18-10(17)15-6-9(7-15)16-5-8(4-12)13-14-16;/h5,9H,4,6-7,12H2,1-3H3;1H
InChI Key:
ZONJKGHYKCGKMV-UHFFFAOYSA-N
SMILES:
NCc1nnn(c1)C1CN(C1)C(=O)OC(C)(C)C.Cl
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.131g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
289.764g/mol
Monoisotopic Mass:
289.131g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties