Home Carboxys 3-(2-Dimethylaminoethylamino)pyrrolidine-1-carboxylic acid tert-butyl ester

3-(2-Dimethylaminoethylamino)pyrrolidine-1-carboxylic acid tert-butyl ester

CAS No.:
887587-43-1
Catalog Number:
AG004DQD
Molecular Formula:
C13H27N3O2
Molecular Weight:
257.3724
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$228
- +
1g
95%
1 week
United States
$419
- +
Product Description
Catalog Number:
AG004DQD
Chemical Name:
3-(2-Dimethylaminoethylamino)pyrrolidine-1-carboxylic acid tert-butyl ester
CAS Number:
887587-43-1
Molecular Formula:
C13H27N3O2
Molecular Weight:
257.3724
MDL Number:
MFCD06656608
IUPAC Name:
tert-butyl 3-[2-(dimethylamino)ethylamino]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C13H27N3O2/c1-13(2,3)18-12(17)16-8-6-11(10-16)14-7-9-15(4)5/h11,14H,6-10H2,1-5H3
InChI Key:
QXXLESWYFDJPFJ-UHFFFAOYSA-N
SMILES:
CN(CCNC1CCN(C1)C(=O)OC(C)(C)C)C
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.21g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.378g/mol
Monoisotopic Mass:
257.21g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties