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123691-31-6 | Phosphinic acid, (3-aminopropyl)hexyl- (9CI)
CAS No: 123691-31-6 Catalog No: AG000KYC MDL No:
Product Description
Catalog Number:
AG000KYC
Chemical Name:
Phosphinic acid, (3-aminopropyl)hexyl- (9CI)
CAS Number:
123691-31-6
Molecular Formula:
C9H22NO2P
Molecular Weight:
207.2502
IUPAC Name:
3-aminopropyl(hexyl)phosphinic acid
InChI:
InChI=1S/C9H22NO2P/c1-2-3-4-5-8-13(11,12)9-6-7-10/h2-10H2,1H3,(H,11,12)
InChI Key:
QVUUPQCCYOPHFY-UHFFFAOYSA-N
SMILES:
CCCCCCP(=O)(CCCN)O
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.139g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.254g/mol
Monoisotopic Mass:
207.139g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
Literature
| Title | Journal |
|---|---|
| Phosphinic acid analogues of GABA. 2. Selective, orally active GABAB antagonists. | Journal of medicinal chemistry 19950818 |
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