Home Carboxys Benzyl 3-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate

Benzyl 3-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate

CAS No.:
959236-80-7
Catalog Number:
AG00IJIV
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$313
- +
5g
95%
In Stock USA
United States
$938
- +
Product Description
Catalog Number:
AG00IJIV
Chemical Name:
Benzyl 3-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CAS Number:
959236-80-7
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
MDL Number:
MFCD08461238
IUPAC Name:
benzyl 3-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C14H19NO3/c1-11-7-15(8-13(11)9-16)14(17)18-10-12-5-3-2-4-6-12/h2-6,11,13,16H,7-10H2,1H3
InChI Key:
MRQXTCAWNGPCMI-UHFFFAOYSA-N
SMILES:
OCC1CN(CC1C)C(=O)OCc1ccccc1
Properties
Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.136g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.31g/mol
Monoisotopic Mass:
249.136g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties