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125422-10-8 | 1-Butanaminium, 4-hydroxy-N,N,N-trimethyl-, chloride (1:1)
CAS No: 125422-10-8 Catalog No: AG000NOA MDL No:
Product Description
Catalog Number:
AG000NOA
Chemical Name:
1-Butanaminium, 4-hydroxy-N,N,N-trimethyl-, chloride (1:1)
CAS Number:
125422-10-8
Molecular Formula:
C7H18ClNO
Molecular Weight:
167.6769
IUPAC Name:
4-hydroxybutyl(trimethyl)azanium;chloride
InChI:
InChI=1S/C7H18NO.ClH/c1-8(2,3)6-4-5-7-9;/h9H,4-7H2,1-3H3;1H/q+1;/p-1
InChI Key:
VPGBSJICKBYUNH-UHFFFAOYSA-M
SMILES:
OCCCC[N+](C)(C)C.[Cl-]
Properties
Complexity:
65.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.108g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.677g/mol
Monoisotopic Mass:
167.108g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| 3-D-QSAR and docking studies on the neuronal choline transporter. | Bioorganic & medicinal chemistry letters 20100815 |
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