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alpha-[1-(Methylamino)Ethyl]-Benzenemethanol
[CAS# 53214-57-6]

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Identification
Name alpha-[1-(Methylamino)Ethyl]-Benzenemethanol
Synonyms 2-Methylamino-1-Phenyl-Propan-1-Ol; Idi1_000181; 1-Alpha-(1-Methylaminoethyl)-Benzyl Alcohol
Molecular Structure CAS#: 53214-57-6, alpha-[1-(Methylamino)Ethyl]-Benzenemethanol
Molecular Formula C10H15NO
Molecular Weight 165.23
CAS Registry Number 53214-57-6
SMILES C1=CC=CC=C1C(C(NC)C)O
InChI 1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3
InChIKey KWGRBVOPPLSCSI-UHFFFAOYSA-N
Properties
Density 1.015g/cm3 (Cal.)
Boiling point 254.999°C at 760 mmHg (Cal.)
Flash point 85.556°C (Cal.)
References
(1) Daniel F. Veber, Stephen R. Johnson, Hung-Yuan Cheng, Brian R. Smith, Keith W. Ward, and Kenneth D. Kopple. Molecular Properties That Influence the Oral Bioavailability of Drug Candidates, J. Med. Chem. 2002, 45(12), 2615-2623
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