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178324-24-8 | 1-Butanaminium, N,N,N-tributyl-, 2-hydroxypropanoate (1:1)
CAS No: 178324-24-8 Catalog No: AG0025XU MDL No:
Product Description
Catalog Number:
AG0025XU
Chemical Name:
1-Butanaminium, N,N,N-tributyl-, 2-hydroxypropanoate (1:1)
CAS Number:
178324-24-8
Molecular Formula:
C19H41NO3
Molecular Weight:
331.5337
IUPAC Name:
(2S)-2-hydroxypropanoate;tetrabutylazanium
InChI:
InChI=1S/C16H36N.C3H6O3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2(4)3(5)6/h5-16H2,1-4H3;2,4H,1H3,(H,5,6)/q+1;/p-1/t;2-/m.0/s1
InChI Key:
MSLTZKLJPHUCPU-WNQIDUERSA-M
SMILES:
CC(C(=O)[O-])O.CCCC[N+](CCCC)(CCCC)CCCC
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
331.309g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.541g/mol
Monoisotopic Mass:
331.309g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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