Cas no 75726-94-2 (1H-Azepine, 1-(bromoacetyl)hexahydro- (9CI))
75726-94-2 structure
Product Name:1H-Azepine, 1-(bromoacetyl)hexahydro- (9CI)
CAS No:75726-94-2
MF:C8H14BrNO
MW:220.106861591339
CID:559703
PubChem ID:587624
Update Time:2025-04-19
1H-Azepine, 1-(bromoacetyl)hexahydro- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Azepine, 1-(bromoacetyl)hexahydro- (9CI)
- 1-(azepan-1-yl)-2-bromoethanone
- Ethanone,2-bromo-1-(hexahydro-1H-azepin-1-yl)-
- Hexamethylenimine, 1-bromoacetyl- (6CI)
- BB 0220649
- 1-Azepan-1-yl-2-bromethanone
- AG-H-01961
- AKOS005288998
- UFXLCSLXNMZTLE-UHFFFAOYSA-N
- 1-(Bromoacetyl)azepane
- DTXSID70343118
- 75726-94-2
- 1-(azepan-1-yl)-2-bromoethan-1-one
- 1-(Bromoacetyl)azepane #
-
- Inchi： 1S/C8H14BrNO/c9-7-8(11)10-5-3-1-2-4-6-10/h1-7H2
- InChI Key： UFXLCSLXNMZTLE-UHFFFAOYSA-N
- SMILES： BrCC(N1CCCCCC1)=O
Computed Properties
- Exact Mass: 219.02592
- Monoisotopic Mass: 219.02588g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 130
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- PSA: 20.31
1H-Azepine, 1-(bromoacetyl)hexahydro- (9CI) Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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