264264-51-9
2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPIN-7-YL METHANESULFONATE
Name
2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPIN-7-YL METHANESULFONATE
Formula
C11 H15 N O3 S
MolWeight
241.309
1Identification
【Name】
2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPIN-7-YL METHANESULFONATE
【CAS】
【MDL】
MFCD12911993
【English Synonyms】
【Formula】
C11 H15 N O3 S
【MolWeight】
241.309
【Inchi】
InChI=1S/C11H15NO3S/c1-16(13,14)15-11-3-2-9-4-6-12-7-5-10(9)8-11/h2-3,8,12H,4-7H2,1H3
【InChIKey】
InChIKey=CZDYVNNSJARDTC-UHFFFAOYSA-N
【SMILES】
CS(=O)(=O)Oc1ccc2c(c1)CCNCC2
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPIN-7-YL METHANESULFONATE.cml
Quick Release
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AURORA KA-7193
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