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100-81-2 | Benzenemethanamine, 3-methyl-
CAS No: 100-81-2 Catalog No: AG00007Y MDL No:MFCD00008118
Product Description
Catalog Number:
AG00007Y
Chemical Name:
Benzenemethanamine, 3-methyl-
CAS Number:
100-81-2
Molecular Formula:
C8H11N
Molecular Weight:
121.1796
MDL Number:
MFCD00008118
IUPAC Name:
(3-methylphenyl)methanamine
InChI:
InChI=1S/C8H11N/c1-7-3-2-4-8(5-7)6-9/h2-5H,6,9H2,1H3
InChI Key:
RGXUCUWVGKLACF-UHFFFAOYSA-N
SMILES:
NCc1cccc(c1)C
EC Number:
202-890-8
Properties
Complexity:
80.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.089g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
121.183g/mol
Monoisotopic Mass:
121.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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