Einecs 288-557-8

HCID 13201019
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Basic information

CAS
85750-30-7
Standard SMILES
CN1CCCN2c3ccccc3Cc3ccccc3C2C1
InChIKey
HKKYZQXKRDMHHY-UHFFFAOYSA-N
Molecular formula
C19H22N2
Average molar mass
278.4 g/mol
Monoisotopic mass
278.1782987

Names & identifiers

Preferred name
Einecs 288-557-8
IUPAC
17-methyl-1,17-diazatetracyclo[13.5.0.02,7.09,14]icosa-2,4,6,9,11,13-hexaene

Names & synonyms

EINECS 288-557-885750-30-7(1)-2,3,4,5,11,15b-Hexahydro-2-methyl-1H-(3,4:6,7)azepino(1,2-a)(1,4)diazepine2,3,4,5,11,15b-hexahydro-2-methyl-1H-dibenz[3,4:6,7]azepino[1,2-a](1,4)diazepine2,3,4,5,11,15b-Hexahydro-2-methyl-1H-dibenz[3,4:6,7]azepino[1,2-a][1,4]diazepineSCHEMBL11470158DTXSID5011345202-Methyl-2,3,4,5,11,15b-hexahydro-1H-dibenzo[3,4:6,7]azepino[1,2-a][1,4]diazepine

Database identifiers

CAS
85750-30-7
PubChem CID
13201019
DTXSID
DTXSID501134520
EC Number
288-557-8

Properties

Computed structural propertiesFilling in

XLogP
3.7
Topological polar surface area
6.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
21

Related reactions

1 records
New reaction record

Compound notes

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