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327070-54-2 | 4-(3,4-Dimethyl-phenylamino)-butan-1-ol
CAS No: 327070-54-2 Catalog No: AG01FCGO MDL No:
Product Description
Catalog Number:
AG01FCGO
Chemical Name:
4-(3,4-Dimethyl-phenylamino)-butan-1-ol
CAS Number:
327070-54-2
Molecular Formula:
C12H19NO
Molecular Weight:
193.2854
IUPAC Name:
4-(3,4-dimethylanilino)butan-1-ol
InChI:
InChI=1S/C12H19NO/c1-10-5-6-12(9-11(10)2)13-7-3-4-8-14/h5-6,9,13-14H,3-4,7-8H2,1-2H3
InChI Key:
NDWXIMPEMFEDEB-UHFFFAOYSA-N
SMILES:
OCCCCNc1ccc(c(c1)C)C
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.147g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.29g/mol
Monoisotopic Mass:
193.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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 |
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