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17091-31-5

Basic Information
CAS No.: 17091-31-5
Name: CAPROLACTAM MAGNESIUM BROMIDE
Molecular Structure:
Molecular Structure of 17091-31-5 (CAPROLACTAM MAGNESIUM BROMIDE)
Formula: C6H10BrMgNO
Molecular Weight: 216.36
Synonyms: Magnesium,bromo(hexahydro-2H-azepin-2-onato)- (8CI);Magnesium,bromo(hexahydro-2H-azepin-2-onato-N)-;2H-Azepin-2-one, hexahydro-, magnesiumcomplex;Bromocaprolactam magnesium;Bruggolen C 1;Caprolactam magnesiumbromide;Nyrim 1 Catalyst;e-Caprolactam magnesium bromide;
EINECS: 241-158-2
Density: 1.18[at 20℃]
Boiling Point: 272.5oC at 760mmHg
Flash Point: 136.7oC
Solubility: 870g/L at 20℃
PSA: 20.31000
LogP: 1.63680
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Specification

The Bromo(hexahydro-2H-azepin-2-onato-N)magnesium  is an organic compound with the formula C6H10BrMgNO. The IUPAC name of this chemical is Magnesium azanidacycloheptan-2-one bromide. With the CAS registry number 17091-31-5, it is also named as Bromocaprolactam magnesium. Besides, its molecular weight is 216.36.

Physical properties about Bromo(hexahydro-2H-azepin-2-onato-N)magnesium  are: (1)#H bond acceptors: 2; (2)#Freely Rotating Bonds: 1; (3)Polar Surface Area: 20.31 Å2.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C6H11NO.BrH.Mg/c8-6-4-2-1-3-5-7-6;;/h1-5H2,(H,7,8);1H;/q;;+2/p-2/rC6H10BrMgNO/c7-8-9-5-3-1-2-4-6(9)10/h1-5H2
(2)InChIKey: BOQJOCGCWDUQOA-OINKEYGVAE
(3)Std. InChI: InChI=1S/C6H11NO.BrH.Mg/c8-6-4-2-1-3-5-7-6;;/h1-5H2,(H,7,8);1H;/q;;+2/p-2
(4)Std. InChIKey: BOQJOCGCWDUQOA-UHFFFAOYSA-L