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301673-16-5

301673-16-5 | 1-Boc-3-hydroxymethylpiperazine

CAS No: 301673-16-5 Catalog No: AG0038TX MDL No:MFCD04115304

Product Description

Catalog Number:
AG0038TX
Chemical Name:
1-Boc-3-hydroxymethylpiperazine
CAS Number:
301673-16-5
Molecular Formula:
C10H20N2O3
Molecular Weight:
216.2774
MDL Number:
MFCD04115304
IUPAC Name:
tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate
InChI:
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-11-8(6-12)7-13/h8,11,13H,4-7H2,1-3H3
InChI Key:
NSILYQWHARROMG-UHFFFAOYSA-N
SMILES:
OCC1NCCN(C1)C(=O)OC(C)(C)C

Properties

Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.147g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
216.281g/mol
Monoisotopic Mass:
216.147g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  

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