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Home > Indoles and Oxindole > 912999-93-0
912999-93-0 | 5-(4-methyl-piperazin-1-ylmethyl)-2,3-dihydro-1H-isoindole
CAS No: 912999-93-0 Catalog No: AG00H4TX MDL No:MFCD23703359
Product Description
Catalog Number:
AG00H4TX
Chemical Name:
5-(4-methyl-piperazin-1-ylmethyl)-2,3-dihydro-1H-isoindole
CAS Number:
912999-93-0
Molecular Formula:
C14H21N3
Molecular Weight:
231.3366
MDL Number:
MFCD23703359
IUPAC Name:
5-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole
InChI:
InChI=1S/C14H21N3/c1-16-4-6-17(7-5-16)11-12-2-3-13-9-15-10-14(13)8-12/h2-3,8,15H,4-7,9-11H2,1H3
InChI Key:
JRYCDLRMCRIXHZ-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)Cc1ccc2c(c1)CNC2
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.174g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.343g/mol
Monoisotopic Mass:
231.174g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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