Home Other Building Blocks acetic acid, tert-butyl N-(1-carbamimidoylcyclopentyl)carbamate

acetic acid, tert-butyl N-(1-carbamimidoylcyclopentyl)carbamate

CAS No.:
2137873-92-6
Catalog Number:
AG01EIFK
Molecular Formula:
C13H25N3O4
Molecular Weight:
287.3553
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Product Description
Catalog Number:
AG01EIFK
Chemical Name:
acetic acid, tert-butyl N-(1-carbamimidoylcyclopentyl)carbamate
CAS Number:
2137873-92-6
Molecular Formula:
C13H25N3O4
Molecular Weight:
287.3553
MDL Number:
MFCD31446541
IUPAC Name:
acetic acid;tert-butyl N-(1-carbamimidoylcyclopentyl)carbamate
InChI:
InChI=1S/C11H21N3O2.C2H4O2/c1-10(2,3)16-9(15)14-11(8(12)13)6-4-5-7-11;1-2(3)4/h4-7H2,1-3H3,(H3,12,13)(H,14,15);1H3,(H,3,4)
InChI Key:
QSWCRJSOYWPMAS-UHFFFAOYSA-N
SMILES:
O=C(NC1(CCCC1)C(=N)N)OC(C)(C)C.CC(=O)O
Properties
Complexity:
319  
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:
4  
Isotope Atom Count:
0
Molecular Weight:
287.36g/mol
Monoisotopic Mass:
287.185g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties