Home Amines 1268334-90-2
1268334-90-2,MFCD18447657
Catalog No.:AA00HRIC
1268334-90-2 | tert-butyl 6-(aminomethyl)-1,4-oxazepane-4-carboxylate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$334.00
- +
5g
95%
in stock  
$1,145.00
- +
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Technical Information
Catalog Number:
AA00HRIC
Chemical Name:
tert-butyl 6-(aminomethyl)-1,4-oxazepane-4-carboxylate
CAS Number:
1268334-90-2
Molecular Formula:
C11H22N2O3
Molecular Weight:
230.3040
MDL Number:
MFCD18447657
IUPAC Name:
tert-butyl 6-(aminomethyl)-1,4-oxazepane-4-carboxylate
InChI:
InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-4-5-15-8-9(6-12)7-13/h9H,4-8,12H2,1-3H3
InChI Key:
CRSZXGHDSAVXGB-UHFFFAOYSA-N
SMILES:
NCC1COCCN(C1)C(=O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.163g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.308g/mol
Monoisotopic Mass:
230.163g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

Synonyms
 
1268334-90-2 
TERT-BUTYL 6-(AMINOMETHYL)-1,4-OXAZEPANE-4-CARBOXYLATE 
DTXSID70692835 
ZX-CM008905 
MFCD18447657 
AKOS027254491 
FCH1624076 
AS-41635 
Y-7932 
2-[(2-ethoxy-2-oxoethyl)amino]benzoic acid 
Literature
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