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2051-53-8 | Benzenamine, 2-methyl-5-(1-methylethyl)-
CAS No: 2051-53-8 Catalog No: AG0029V0 MDL No:MFCD00044503
Product Description
Catalog Number:
AG0029V0
Chemical Name:
Benzenamine, 2-methyl-5-(1-methylethyl)-
CAS Number:
2051-53-8
Molecular Formula:
C10H15N
Molecular Weight:
149.2328
MDL Number:
MFCD00044503
IUPAC Name:
2-methyl-5-propan-2-ylaniline
InChI:
InChI=1S/C10H15N/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7H,11H2,1-3H3
InChI Key:
YKWALWNGEXPARQ-UHFFFAOYSA-N
SMILES:
CC(c1ccc(c(c1)N)C)C
NSC Number:
4021
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.12g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
149.237g/mol
Monoisotopic Mass:
149.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Structural requirements for the antimicrobial activity of carvacrol. | Journal of agricultural and food chemistry 20060308 |
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