NPU

(1R,2R)-2-amino-1-phenylpropan-1-ol

Created:2011-10-24
Last modified:  2011-10-24

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Chemical Details

Formal Charge0
Atom Count24
Chiral Atom Count2
Bond Count24
Aromatic Bond Count6
2D diagram of NPU

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Chemical Component Summary

Name(1R,2R)-2-amino-1-phenylpropan-1-ol
Systematic Name (OpenEye OEToolkits)(1R,2R)-2-azanyl-1-phenyl-propan-1-ol
FormulaC9 H13 N O
Molecular Weight151.206
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC(c1ccccc1)C(N)C
SMILESCACTVS3.370C[CH](N)[CH](O)c1ccccc1
SMILESOpenEye OEToolkits1.7.2CC(C(c1ccccc1)O)N
Canonical SMILESCACTVS3.370 C[C@@H](N)[C@H](O)c1ccccc1
Canonical SMILESOpenEye OEToolkits1.7.2 C[C@H]([C@@H](c1ccccc1)O)N
InChIInChI1.03 InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9+/m1/s1
InChIKeyInChI1.03 DLNKOYKMWOXYQA-APPZFPTMSA-N

Related Resource References

Resource NameReference
PubChem 162265
ChEMBL CHEMBL1788114
ChEBI CHEBI:8104
CCDC/CSD VEJQEG