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23672-96-0 | 1-Piperazinecarboxylic acid, 2-methylpropyl ester
CAS No: 23672-96-0 Catalog No: AG002O2Z MDL No:MFCD11128916
Product Description
Catalog Number:
AG002O2Z
Chemical Name:
1-Piperazinecarboxylic acid, 2-methylpropyl ester
CAS Number:
23672-96-0
Molecular Formula:
C9H18N2O2
Molecular Weight:
186.2514
MDL Number:
MFCD11128916
IUPAC Name:
2-methylpropyl piperazine-1-carboxylate
InChI:
InChI=1S/C9H18N2O2/c1-8(2)7-13-9(12)11-5-3-10-4-6-11/h8,10H,3-7H2,1-2H3
InChI Key:
KPEKTRARZLEBCG-UHFFFAOYSA-N
SMILES:
CC(COC(=O)N1CCNCC1)C
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.137g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.255g/mol
Monoisotopic Mass:
186.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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