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869942-13-2 | 2-[(4-PYRIDINYLMETHYL)AMINO]-1-BUTANOL
CAS No: 869942-13-2 Catalog No: AG004NWJ MDL No:MFCD04493151
Product Description
Catalog Number:
AG004NWJ
Chemical Name:
2-[(4-PYRIDINYLMETHYL)AMINO]-1-BUTANOL
CAS Number:
869942-13-2
Molecular Formula:
C10H16N2O
Molecular Weight:
180.2468
MDL Number:
MFCD04493151
IUPAC Name:
2-(pyridin-4-ylmethylamino)butan-1-ol
InChI:
InChI=1S/C10H16N2O/c1-2-10(8-13)12-7-9-3-5-11-6-4-9/h3-6,10,12-13H,2,7-8H2,1H3
InChI Key:
MNDDVQNBQVPGAG-UHFFFAOYSA-N
SMILES:
CCC(NCc1ccncc1)CO
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.251g/mol
Monoisotopic Mass:
180.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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