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210967-77-4 | 3-N-Boc-Amino-epsilon-caprolactam
CAS No: 210967-77-4 Catalog No: AG01FEI6 MDL No:
Product Description
Catalog Number:
AG01FEI6
Chemical Name:
3-N-Boc-Amino-epsilon-caprolactam
CAS Number:
210967-77-4
Molecular Formula:
C11H20N2O3
Molecular Weight:
228.2881
IUPAC Name:
tert-butyl N-(2-oxoazepan-4-yl)carbamate
InChI:
InChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-8-5-4-6-12-9(14)7-8/h8H,4-7H2,1-3H3,(H,12,14)(H,13,15)
InChI Key:
OSAXWHKEQRUBFV-UHFFFAOYSA-N
SMILES:
O=C1NCCCC(C1)NC(=O)OC(C)(C)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.292g/mol
Monoisotopic Mass:
228.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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