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124369-77-3 | Phosphonic acid, [1-hydroxy-3-[(4-phenylbutyl)amino]propylidene]bis- (9CI)
CAS No: 124369-77-3 Catalog No: AG000LX3 MDL No:
Product Description
Catalog Number:
AG000LX3
Chemical Name:
Phosphonic acid, [1-hydroxy-3-[(4-phenylbutyl)amino]propylidene]bis- (9CI)
CAS Number:
124369-77-3
Molecular Formula:
C13H23NO7P2
Molecular Weight:
367.2717
IUPAC Name:
[1-hydroxy-3-(4-phenylbutylamino)-1-phosphonopropyl]phosphonic acid;hydrochloride
InChI:
InChI=1S/C13H23NO7P2.ClH/c15-13(22(16,17)18,23(19,20)21)9-11-14-10-5-4-8-12-6-2-1-3-7-12;/h1-3,6-7,14-15H,4-5,8-11H2,(H2,16,17,18)(H2,19,20,21);1H
InChI Key:
QUZHOSXHAJUBAH-UHFFFAOYSA-N
SMILES:
OP(=O)(C(P(=O)(O)O)(CCNCCCCc1ccccc1)O)O
NSC Number:
724487
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.072g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
403.733g/mol
Monoisotopic Mass:
403.072g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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