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120-37-6 | Phenol, 3-(ethylamino)-4-methyl-
CAS No: 120-37-6 Catalog No: AG000Q11 MDL No:MFCD00002382
Product Description
Catalog Number:
AG000Q11
Chemical Name:
Phenol, 3-(ethylamino)-4-methyl-
CAS Number:
120-37-6
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
MDL Number:
MFCD00002382
IUPAC Name:
3-(ethylamino)-4-methylphenol
InChI:
InChI=1S/C9H13NO/c1-3-10-9-6-8(11)5-4-7(9)2/h4-6,10-11H,3H2,1-2H3
InChI Key:
CTGSQPRDMHCIMM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1NCC)O
EC Number:
204-391-0
UNII:
8002QME89H
UN Number:
2512
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.1g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
151.209g/mol
Monoisotopic Mass:
151.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Prediction of genotoxicity of chemical compounds by statistical learning methods. | Chemical research in toxicology 20050601 |
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