Basic information
- CAS
16689-12-6- Standard SMILES
CCCOc1ccc(C(=O)CCN2CCCCCC2)cc1- InChIKey
XJLSIHLNCRSPKR-UHFFFAOYSA-N- Molecular formula
- C18H27NO2
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.2041791
Overview
local anesthetic of beta-aminoketone group.; structure
Names & identifiers
- Preferred name
- 3-(Hexahydro-1H-azepin-1-yl)-1-(4-propoxyphenyl)-1-propanone
- IUPAC
- 3-(azepan-1-yl)-1-(4-propoxyphenyl)propan-1-one
- English name
- 3-(Hexahydro-1H-azepin-1-yl)-1-(4-propoxyphenyl)propan-1-one
- Molecular formula
- C18H27NO2
- Molecular weight
- 289.41
Names & synonyms
Hexacaine16689-12-6DTXSID40168198RefChem:911074DTXCID40906893-(Hexahydro-1H-azepin-1-yl)-1-(4-propoxyphenyl)-1-propanonebeta-N-hexamethylenimino-p-propoxypropiophenone. HCl /OD/ TG-163-(azepan-1-yl)-1-(4-propoxyphenyl)propan-1-onePropiophenone, 3-(hexahydro-1H-azepin-1-yl)-4'-propoxy-3-(Hexahydro-1H-azepin-1-yl)-1-(4-propoxyphenyl)propan-1-oneN-Hexamethyleneimino-p-propoxypropiophenoneTG-16
Show more names
Propiophenone,3-(hexahydro-1H-azepin-1-yl)-4'-propoxy- (8CI)
BRN 02240691-Propanone, 3-(hexahydro-1H-azepin-1-yl)-1-(4-propoxyphenyl)-Oprea1_644620SCHEMBL29378842AKOS001746498ST038055AG-690/096740293-azaperhydroepinyl-1-(4-propoxyphenyl)propan-1-one
Database identifiers
- CAS
16689-12-6- PubChem CID
- 197945
- DTXSID
DTXSID40168198- Nikkaji
- J15.694I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Toxicity
- 50 intraperitoneal · LD50 intraperitoneal in mouse: 62mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 intraperitoneal in mouse: 62mg/kg
Chemistry & industry
Suppliers5 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海相辉医药科技有限公司[email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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