Home Halogens Methyl 2-n-boc-2-aminomethyl-3-(4-chloro-phenyl)-propionate

Methyl 2-n-boc-2-aminomethyl-3-(4-chloro-phenyl)-propionate

CAS No.:
886366-43-4
Catalog Number:
AG0049LB
Molecular Formula:
C16H22ClNO4
Molecular Weight:
327.8032
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$192
- +
1g
97%
1 week
United States
$499
- +
Product Description
Catalog Number:
AG0049LB
Chemical Name:
Methyl 2-n-boc-2-aminomethyl-3-(4-chloro-phenyl)-propionate
CAS Number:
886366-43-4
Molecular Formula:
C16H22ClNO4
Molecular Weight:
327.8032
MDL Number:
MFCD08061214
IUPAC Name:
methyl 2-[(4-chlorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI:
InChI=1S/C16H22ClNO4/c1-16(2,3)22-15(20)18-10-12(14(19)21-4)9-11-5-7-13(17)8-6-11/h5-8,12H,9-10H2,1-4H3,(H,18,20)
InChI Key:
BHWDPWQAZJLFEX-UHFFFAOYSA-N
SMILES:
COC(=O)C(Cc1ccc(cc1)Cl)CNC(=O)OC(C)(C)C
Properties
Complexity:
373  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.124g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
327.805g/mol
Monoisotopic Mass:
327.124g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties