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124151-46-8 | D-Alanine, N-butyl-
CAS No: 124151-46-8 Catalog No: AG000LLN MDL No:
Product Description
Catalog Number:
AG000LLN
Chemical Name:
D-Alanine, N-butyl-
CAS Number:
124151-46-8
Molecular Formula:
C7H15NO2
Molecular Weight:
145.1995
IUPAC Name:
(2R)-2-(butylamino)propanoic acid
InChI:
InChI=1S/C7H15NO2/c1-3-4-5-8-6(2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)/t6-/m1/s1
InChI Key:
DVVNPYAVFWSKAB-ZCFIWIBFSA-N
SMILES:
C[C@H](C(=O)O)NCCCC
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
145.11g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
145.202g/mol
Monoisotopic Mass:
145.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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