Home Carboxys tert-Butyl 3-(cyanomethyl)pyrrolidine-1-carboxylate

tert-Butyl 3-(cyanomethyl)pyrrolidine-1-carboxylate

CAS No.:
142253-46-1
Catalog Number:
AG001I2G
Molecular Formula:
C11H18N2O2
Molecular Weight:
210.2728
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 95% (NMR)
1 week
United States
$190
- +
1g
97%
1 week
United States
$313
- +
Product Description
Catalog Number:
AG001I2G
Chemical Name:
tert-Butyl 3-(cyanomethyl)pyrrolidine-1-carboxylate
CAS Number:
142253-46-1
Molecular Formula:
C11H18N2O2
Molecular Weight:
210.2728
MDL Number:
MFCD06738464
IUPAC Name:
tert-butyl 3-(cyanomethyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-7-5-9(8-13)4-6-12/h9H,4-5,7-8H2,1-3H3
InChI Key:
IPLBXZOFLWOERN-UHFFFAOYSA-N
SMILES:
N#CCC1CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.137g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.277g/mol
Monoisotopic Mass:
210.137g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties