CAS 13330-96-6 | 1-Butanol, 4-(dimethylamino)- | CAS Number 13330-96-6

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13330-96-6 | 1-Butanol, 4-(dimethylamino)-

CAS No: 13330-96-6 Catalog No: AG0014KU MDL No:MFCD00020624

Product Description

Catalog Number:

AG0014KU

Chemical Name:

1-Butanol, 4-(dimethylamino)-

CAS Number:

13330-96-6

Molecular Formula:

C6H15NO

Molecular Weight:

117.1894

MDL Number:

MFCD00020624

IUPAC Name:

4-(dimethylamino)butan-1-ol

InChI:

InChI=1S/C6H15NO/c1-7(2)5-3-4-6-8/h8H,3-6H2,1-2H3

InChI Key:

QCTOLMMTYSGTDA-UHFFFAOYSA-N

SMILES:

OCCCCN(C)C

EC Number:

236-380-1

NSC Number:

165645

Properties

Complexity:

45.8

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

117.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

117.192g/mol

Monoisotopic Mass:

117.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

23.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3

Literature

Title	Journal
Copper (II)-mediated arylation with aryl boronic acids for the N-derivatization of pyrazole libraries.	Journal of combinatorial chemistry 20040101
Reduced platelet adhesion on the surface of polyurethane bearing structure of sulfobetaine.	Journal of biomaterials applications 20031001
Platelet adhesion onto segmented polyurethane surfaces modified by carboxybetaine.	Journal of biomaterials science. Polymer edition 20030101