Home Carboxys Benzyl 2-(hydroxymethyl)piperazine-1-carboxylate

Benzyl 2-(hydroxymethyl)piperazine-1-carboxylate

CAS No.:
1131595-00-0
Catalog Number:
AG00HCL3
Molecular Formula:
C13H18N2O3
Molecular Weight:
250.2936
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Product Description
Catalog Number:
AG00HCL3
Chemical Name:
Benzyl 2-(hydroxymethyl)piperazine-1-carboxylate
CAS Number:
1131595-00-0
Molecular Formula:
C13H18N2O3
Molecular Weight:
250.2936
MDL Number:
MFCD09954310
IUPAC Name:
benzyl 2-(hydroxymethyl)piperazine-1-carboxylate
InChI:
InChI=1S/C13H18N2O3/c16-9-12-8-14-6-7-15(12)13(17)18-10-11-4-2-1-3-5-11/h1-5,12,14,16H,6-10H2
InChI Key:
DUSWOUMCIHZHBH-UHFFFAOYSA-N
SMILES:
OCC1CNCCN1C(=O)OCc1ccccc1
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.132g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
250.298g/mol
Monoisotopic Mass:
250.132g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties