3-(Hexahydro-1H-azepin-1-yl)-3'-nitropropiophenone hydrochloride

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Catalog Number
ACM13492212
Product Name
3-(Hexahydro-1H-azepin-1-yl)-3'-nitropropiophenone hydrochloride
Structure
Structure
CAS
13492-21-2
Category
Heterocyclic Organic Compound
Synonyms
Phenitrone, Phenitron, Phenytron, TG-6, EINECS 236-808-7, 3670-65-3 (Parent), NSC 150074, CID197917, LS-125312, 3-(Hexahydro-1H-azepin-1-yl)-3-nitropropiophenone hydrochloride, Propiophenone, 3-(hexahydro-1H-azepin-1-yl)-3-nitro-, monohydrochloride, 1-Propanone, 3-(hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-, monohydrochloride, 1-Propanone, 3-(hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-, monohydrochloride (9CI), 13492-21-2
IUPAC Name
3-(azepan-1-yl)-1-(3-nitrophenyl)propan-1-one hydrochloride
Molecular Weight
312.791840 [g/mol]
Molecular Formula
C15H20N2O3.HCl
Canonical SMILES
C1CCCN(CC1)CCC(=O)C2=CC(=CC=C2)[N+](=O)[O-].Cl
InChI Key
GZSMZOZGZVJTLF-UHFFFAOYSA-N
Boiling Point
401.8ºC at 760mmHg
Flash Point
196.8ºC
EC Number
236-808-7
Exact Mass
312.12400
H-Bond Acceptor
4
H-Bond Donor
1
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