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102-48-7 | Benzenemethanamine, 3,4-dimethyl-
CAS No: 102-48-7 Catalog No: AG00068N MDL No:MFCD00025577
Product Description
Catalog Number:
AG00068N
Chemical Name:
Benzenemethanamine, 3,4-dimethyl-
CAS Number:
102-48-7
Molecular Formula:
C9H13N
Molecular Weight:
135.2062
MDL Number:
MFCD00025577
IUPAC Name:
(3,4-dimethylphenyl)methanamine
InChI:
InChI=1S/C9H13N/c1-7-3-4-9(6-10)5-8(7)2/h3-5H,6,10H2,1-2H3
InChI Key:
PXNRCZQMDSDSHJ-UHFFFAOYSA-N
SMILES:
NCc1ccc(c(c1)C)C
EC Number:
203-034-6
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.105g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
135.21g/mol
Monoisotopic Mass:
135.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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