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1159826-45-5 | 1-Piperazinecarboxylic acid, 2-methyl-, 9H-fluoren-9-ylmethyl ester, hydrochloride (1:1)
CAS No: 1159826-45-5 Catalog No: AG000HCQ MDL No:MFCD04115045
Product Description
Catalog Number:
AG000HCQ
Chemical Name:
1-Piperazinecarboxylic acid, 2-methyl-, 9H-fluoren-9-ylmethyl ester, hydrochloride (1:1)
CAS Number:
1159826-45-5
Molecular Formula:
C20H23ClN2O2
Molecular Weight:
358.8618
MDL Number:
MFCD04115045
IUPAC Name:
9H-fluoren-9-ylmethyl 2-methylpiperazine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C20H22N2O2.ClH/c1-14-12-21-10-11-22(14)20(23)24-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19;/h2-9,14,19,21H,10-13H2,1H3;1H
InChI Key:
VVCUZMZSBHXCNI-UHFFFAOYSA-N
SMILES:
CC1CNCCN1C(=O)OCC1c2ccccc2c2c1cccc2.Cl
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.145g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
358.866g/mol
Monoisotopic Mass:
358.145g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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