Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Y24T9BT2Q2
EPA CompTox DTXSID30187474

Structure

InChI Key MYWUZJCMWCOHBA-SECBINFHSA-N
Smiles CN[C@H](C)Cc1ccccc1
InChI
InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15N
Molecular Weight 149.12
AlogP 1.84
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 12.03
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 33817-09-3
NORMAN SUSDAT
FDA SRS Y24T9BT2Q2
PubChem 36604
ChemSpider 33634.0