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89025-05-8 | 1-Pentanaminium, 1-carboxy-N,N,N-trimethyl-5-[(1-oxododecyl)amino]-
CAS No: 89025-05-8 Catalog No: AG0044C6 MDL No:
Product Description
Catalog Number:
AG0044C6
Chemical Name:
1-Pentanaminium, 1-carboxy-N,N,N-trimethyl-5-[(1-oxododecyl)amino]-
CAS Number:
89025-05-8
Molecular Formula:
C21H43N2O3+
Molecular Weight:
371.5777
IUPAC Name:
[1-carboxy-5-(dodecanoylamino)pentyl]-trimethylazanium
InChI:
InChI=1S/C21H42N2O3/c1-5-6-7-8-9-10-11-12-13-17-20(24)22-18-15-14-16-19(21(25)26)23(2,3)4/h19H,5-18H2,1-4H3,(H-,22,24,25,26)/p+1
InChI Key:
BRTGDGIYSYCYQD-UHFFFAOYSA-O
SMILES:
CCCCCCCCCCCC(=O)NCCCCC([N+](C)(C)C)C(=O)O
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.327g/mol
Formal Charge:
1
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
371.586g/mol
Monoisotopic Mass:
371.327g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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