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14960-08-8 | β-Alanine, N-tetradecyl-
CAS No: 14960-08-8 Catalog No: AG001LV3 MDL No:
Product Description
Catalog Number:
AG001LV3
Chemical Name:
β-Alanine, N-tetradecyl-
CAS Number:
14960-08-8
Molecular Formula:
C17H35NO2
Molecular Weight:
285.4653
IUPAC Name:
3-(tetradecylamino)propanoic acid
InChI:
InChI=1S/C17H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17(19)20/h18H,2-16H2,1H3,(H,19,20)
InChI Key:
HKJKXDULJBGDED-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCNCCC(=O)O
EC Number:
239-033-2
UNII:
J9CQO2B9KO
NSC Number:
139975
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.267g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.472g/mol
Monoisotopic Mass:
285.267g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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