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127169-00-0 | 1H-Isoindole-4-methanamine, 2,3-dihydro-2-(phenylmethyl)-
CAS No: 127169-00-0 Catalog No: AG000WQ1 MDL No:MFCD19382511
Product Description
Catalog Number:
AG000WQ1
Chemical Name:
1H-Isoindole-4-methanamine, 2,3-dihydro-2-(phenylmethyl)-
CAS Number:
127169-00-0
Molecular Formula:
C16H18N2
Molecular Weight:
238.3275
MDL Number:
MFCD19382511
IUPAC Name:
(2-benzyl-1,3-dihydroisoindol-4-yl)methanamine
InChI:
InChI=1S/C16H18N2/c17-9-14-7-4-8-15-11-18(12-16(14)15)10-13-5-2-1-3-6-13/h1-8H,9-12,17H2
InChI Key:
UXAZXMXGESTEHL-UHFFFAOYSA-N
SMILES:
NCc1cccc2c1CN(C2)Cc1ccccc1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.147g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.334g/mol
Monoisotopic Mass:
238.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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