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Home Carboxys tert-butyl 4-carbamimidoylpiperidine-1-carboxylate acetate

tert-butyl 4-carbamimidoylpiperidine-1-carboxylate acetate

CAS No.:
1082950-23-9
Catalog Number:
AG0083PB
Molecular Formula:
C13H25N3O4
Molecular Weight:
287.3553
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Product Description
Catalog Number:
AG0083PB
Chemical Name:
tert-butyl 4-carbamimidoylpiperidine-1-carboxylate acetate
CAS Number:
1082950-23-9
Molecular Formula:
C13H25N3O4
Molecular Weight:
287.3553
MDL Number:
MFCD18801140
IUPAC Name:
acetic acid;tert-butyl 4-carbamimidoylpiperidine-1-carboxylate
InChI:
InChI=1S/C11H21N3O2.C2H4O2/c1-11(2,3)16-10(15)14-6-4-8(5-7-14)9(12)13;1-2(3)4/h8H,4-7H2,1-3H3,(H3,12,13);1H3,(H,3,4)
InChI Key:
BXAWPZRUJPOEJT-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)C(=N)N)OC(C)(C)C.CC(=O)O
Properties
Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.185g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
287.36g/mol
Monoisotopic Mass:
287.185g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties