Home Aminos tert-Butyl 2,8-diaminooctanoate

tert-Butyl 2,8-diaminooctanoate

CAS No.:
99733-18-3
Catalog Number:
AG006NE6
Molecular Formula:
C12H26N2O2
Molecular Weight:
230.3470
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Product Description
Catalog Number:
AG006NE6
Chemical Name:
tert-Butyl 2,8-diaminooctanoate
CAS Number:
99733-18-3
Molecular Formula:
C12H26N2O2
Molecular Weight:
230.3470
MDL Number:
MFCD02094498
IUPAC Name:
tert-butyl N-(7-aminoheptyl)carbamate
InChI:
InChI=1S/C12H26N2O2/c1-12(2,3)16-11(15)14-10-8-6-4-5-7-9-13/h4-10,13H2,1-3H3,(H,14,15)
InChI Key:
DTJYPERGUPPXRU-UHFFFAOYSA-N
SMILES:
NCCCCCCCNC(=O)OC(C)(C)C
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.199g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
230.352g/mol
Monoisotopic Mass:
230.199g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties