530100-19-7
EMOLECULES 8323857
Name
EMOLECULES 8323857
Formula
C16 H19 N O2 . C4 H11 N
MolWeight
330.469
1Identification
【Name】
EMOLECULES 8323857
【CAS】
【MDL】
MFCD06245584
【English Synonyms】
【Formula】
C16 H19 N O2 . C4 H11 N
【MolWeight】
330.469
【Inchi】
InChI=1S/C16H19NO2.C4H11N/c1-9-14(10-6-4-5-7-12(10)17-9)15-11(8-13(18)19)16(15,2)3;1-4(2,3)5/h4-7,11,15,17H,8H2,1-3H3,(H,18,19);5H2,1-3H3/t11-,15-;/m1./s1
【InChIKey】
InChIKey=FIFICQXVXFINOB-GPKQSYPGSA-N
【SMILES】
Cc1c(c2ccccc2[nH]1)[C@H]3[C@H](C3(C)C)CC(=O)O.CC(C)(C)N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
EMOLECULES 8323857.cml
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