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1096795-69-5 | N*1*-Methyl-N*1*-(3-methyl-benzyl)-ethane-1,2-diamine
CAS No: 1096795-69-5 Catalog No: AG01F85M MDL No:
Product Description
Catalog Number:
AG01F85M
Chemical Name:
N*1*-Methyl-N*1*-(3-methyl-benzyl)-ethane-1,2-diamine
CAS Number:
1096795-69-5
Molecular Formula:
C11H18N2
Molecular Weight:
178.2740
IUPAC Name:
N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
InChI:
InChI=1S/C11H18N2/c1-10-4-3-5-11(8-10)9-13(2)7-6-12/h3-5,8H,6-7,9,12H2,1-2H3
InChI Key:
QVUNECZQHMDHDW-UHFFFAOYSA-N
SMILES:
NCCN(Cc1cccc(c1)C)C
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.147g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.279g/mol
Monoisotopic Mass:
178.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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