Home Other Building Blocks acetic acid, tert-butyl N-(2-carbamimidoylethyl)-N-methylcarbamate

acetic acid, tert-butyl N-(2-carbamimidoylethyl)-N-methylcarbamate

CAS No.:
2138311-89-2
Catalog Number:
AG01EICP
Molecular Formula:
C11H23N3O4
Molecular Weight:
261.3180
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Product Description
Catalog Number:
AG01EICP
Chemical Name:
acetic acid, tert-butyl N-(2-carbamimidoylethyl)-N-methylcarbamate
CAS Number:
2138311-89-2
Molecular Formula:
C11H23N3O4
Molecular Weight:
261.3180
MDL Number:
MFCD31443835
IUPAC Name:
acetic acid;tert-butyl N-(3-amino-3-iminopropyl)-N-methylcarbamate
InChI:
InChI=1S/C9H19N3O2.C2H4O2/c1-9(2,3)14-8(13)12(4)6-5-7(10)11;1-2(3)4/h5-6H2,1-4H3,(H3,10,11);1H3,(H,3,4)
InChI Key:
JMXRPHGIJVZWQQ-UHFFFAOYSA-N
SMILES:
CN(C(=O)OC(C)(C)C)CCC(=N)N.CC(=O)O
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.169g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
261.322g/mol
Monoisotopic Mass:
261.169g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties