Home Carboxys tert-Butyl 3-(aminomethyl)azepane-1-carboxylate

tert-Butyl 3-(aminomethyl)azepane-1-carboxylate

CAS No.:
876147-47-6
Catalog Number:
AG00H3VX
Molecular Formula:
C12H24N2O2
Molecular Weight:
228.3312
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$231
- +
Product Description
Catalog Number:
AG00H3VX
Chemical Name:
tert-Butyl 3-(aminomethyl)azepane-1-carboxylate
CAS Number:
876147-47-6
Molecular Formula:
C12H24N2O2
Molecular Weight:
228.3312
MDL Number:
MFCD17169836
IUPAC Name:
tert-butyl 3-(aminomethyl)azepane-1-carboxylate
InChI:
InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-7-5-4-6-10(8-13)9-14/h10H,4-9,13H2,1-3H3
InChI Key:
QTTMMHODJVCZPK-UHFFFAOYSA-N
SMILES:
NCC1CCCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.184g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.336g/mol
Monoisotopic Mass:
228.184g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties