10-Methoxyiminostilbene

HCID 78424CAS 4698-11-7

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Basic information

Standard SMILES: COC1=Cc2ccccc2Nc2ccccc21
InChIKey: ZKHZWXLOSIGIGZ-UHFFFAOYSA-N
Molecular formula: C15H13NO
Average molar mass: 223.27 g/mol
Monoisotopic mass: 223.09971404

Names & identifiers

Preferred name: 10-Methoxyiminostilbene
IUPAC: 5-methoxy-11H-benzo[b][1]benzazepine
English name: 10-Methoxyiminostilbene
Molecular formula: C15H13NO
Molecular weight: 223.27

Names & synonyms

4698-11-710-Methoxy-5H-dibenzo[b,f]azepine10-Methoxyiminostilbene5H-Dibenz[b,f]azepine, 10-methoxy-C935IN7U43EINECS 225-172-6UNII-C935IN7U4310-METHOXY-5H-DIBENZO(B,F)AZEPINE10-METHOXYDIBENZAZEPINEDTXSID201969995H-DIBENZ(B,F)AZEPINE, 10-METHOXY-OXCARBAZEPINE IMPURITY H [EP IMPURITY]

Show more names

MethoxyIminostilbene0/7/9810-Methoxyiminostilb10-Methoxyiminostibene10-Methyl iMinostilbene10-Methoxy-5H-dibenzo[b10-methoxyiminostylbene

EC 225-172-6OXCARBAZEPINE IMPURITY H (EP IMPURITY)RefChem:77569DTXCID10119490225-172-610-METHOXY IMINOSTILBENE10-Methoxy-5H-dibenz[b,f]azepine5-methoxy-11H-benzo[b][1]benzazepine

Database identifiers

CAS: 4698-11-7
PubChem CID: 78424
DTXSID: DTXSID20196999
ChEMBL: CHEMBL3580711
UNII: C935IN7U43
EC Number: 225-172-6
Nikkaji: J297.896B

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 21.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 299

Physicochemical properties

Melting point: 122 · 122-128°C
Boiling point: 410.8 · 410.8±34.0 °C(Predicted)
Density: 1.19 · 1.19
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
form: Solid
pka: 0.88 · 0.88±0.40(Predicted)
color: Yellow
Major Application: pharmaceutical small molecule
InChI: InChI=1S/C15H13NO/c1-17-15-10-11-6-2-4-8-13(11)16-14-9-5-3-7-12(14)15/h2-10,16H,1H3
InChIKey: ZKHZWXLOSIGIGZ-UHFFFAOYSA-N
SMILES: N1C2=CC=CC=C2C(OC)=CC2=CC=CC=C12
CAS DataBase Reference: 4698 · 4698-11-7(CAS DataBase Reference)
FDA UNII: 935 IN7U43 · C935IN7U43
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 280 · P280
HS Code: 2933.99 · 2933.99.8290
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 6.7% (1 of 15) of reports.

Warning

H317 (93.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 15 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.