Home Carboxys aceticacid;tert-butyl3-carbamimidoylazetidine-1-carboxylate

aceticacid;tert-butyl3-carbamimidoylazetidine-1-carboxylate

CAS No.:
1638765-18-0
Catalog Number:
AG00HYZQ
Molecular Formula:
C11H21N3O4
Molecular Weight:
259.3021
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Product Description
Catalog Number:
AG00HYZQ
Chemical Name:
aceticacid;tert-butyl3-carbamimidoylazetidine-1-carboxylate
CAS Number:
1638765-18-0
Molecular Formula:
C11H21N3O4
Molecular Weight:
259.3021
MDL Number:
MFCD27986928
IUPAC Name:
acetic acid;tert-butyl 3-carbamimidoylazetidine-1-carboxylate
InChI:
InChI=1S/C9H17N3O2.C2H4O2/c1-9(2,3)14-8(13)12-4-6(5-12)7(10)11;1-2(3)4/h6H,4-5H2,1-3H3,(H3,10,11);1H3,(H,3,4)
InChI Key:
OHFMLBBDKHWPCU-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C1)C(=N)N)OC(C)(C)C.CC(=O)O
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.153g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
259.306g/mol
Monoisotopic Mass:
259.153g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties