sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 3-(4-Nitrobenzylamino)pyrrolidine-1-carboxylic acid tert-butyl ester

3-(4-Nitrobenzylamino)pyrrolidine-1-carboxylic acid tert-butyl ester

CAS No.:
1204811-26-6
Catalog Number:
AG00932E
Molecular Formula:
C16H23N3O4
Molecular Weight:
321.3715
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
In Stock USA
United States
$82
- +
500mg
In Stock USA
United States
$130
- +
1g
In Stock USA
United States
$214
- +
2.5g
In Stock USA
United States
$415
- +
5g
In Stock USA
United States
$700
- +
10g
In Stock USA
United States
$1193
- +
25g
In Stock USA
United States
$2429
- +
Product Description
Catalog Number:
AG00932E
Chemical Name:
3-(4-Nitrobenzylamino)pyrrolidine-1-carboxylic acid tert-butyl ester
CAS Number:
1204811-26-6
Molecular Formula:
C16H23N3O4
Molecular Weight:
321.3715
IUPAC Name:
tert-butyl 3-[(4-nitrophenyl)methylamino]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C16H23N3O4/c1-16(2,3)23-15(20)18-9-8-13(11-18)17-10-12-4-6-14(7-5-12)19(21)22/h4-7,13,17H,8-11H2,1-3H3
InChI Key:
AZTQXYFVNZSXNM-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)NCc1ccc(cc1)[N+](=O)[O-])OC(C)(C)C
Properties
Complexity:
422  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.169g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
321.377g/mol
Monoisotopic Mass:
321.169g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties