Chem R 3 Amino 1 Butanol | Cheminformatics
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2D Structure

(r)-3-Amino-1-Butanol


  • SKU Code: CH141691
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Chemical Name - (r)-3-Amino-1-Butanol
Mol Weight - 89.1373
Smiles - C[C@H](CCO)N
Property Name Property Value
Mol Name(r)-3-Amino-1-Butanol
Molweight89.1373
Monoisotopic Mass89.084064
Clogp-0.4603
Clogs-0.694
H Acceptors2
H Donors2
Total Surface Area80.65
Relative Psa0.35177
Polar Surface Area46.25
Druglikeness-5.2412
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantlow
Shape Index0.83333
Molecular Flexibility0.68515
Molecular Complexity0.80472
Fragments1
Non H Atoms6
Non Ch Atoms2
Electronegative Atoms2
Stereo Centers1
Rotatable Bonds2
Sp3 Atoms6
Amines1
Alkyl Amines1
Basic Nitrogens1
SmilesC[C@H](CCO)N
InChIKeyInChI=1S/C4H11NO/c1-4(5)2-3-6/h4,6H,2-3,5H2,1H3/t4-/m1/s1
InChIAGMZSYQMSHMXLT-SCSAIBSYSA-N

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