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101508-72-9 | Phosphonic acid, [(butylamino)-3-pyridinylmethyl]- (9CI)
CAS No: 101508-72-9 Catalog No: AG0004OK MDL No:
Product Description
Catalog Number:
AG0004OK
Chemical Name:
Phosphonic acid, [(butylamino)-3-pyridinylmethyl]- (9CI)
CAS Number:
101508-72-9
Molecular Formula:
C10H17N2O3P
Molecular Weight:
244.2273
IUPAC Name:
[butylamino(pyridin-3-yl)methyl]phosphonic acid
InChI:
InChI=1S/C10H17N2O3P/c1-2-3-7-12-10(16(13,14)15)9-5-4-6-11-8-9/h4-6,8,10,12H,2-3,7H2,1H3,(H2,13,14,15)
InChI Key:
LIMPKJRYRUEVMS-UHFFFAOYSA-N
SMILES:
CCCCNC(P(=O)(O)O)c1cccnc1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.098g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
244.231g/mol
Monoisotopic Mass:
244.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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