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88836-31-1 | 1H-Azepine, 1-(3-bromo-1-methylpropyl)hexahydro-, hydrobromide
CAS No: 88836-31-1 Catalog No: AG004C0Z MDL No:
Product Description
Catalog Number:
AG004C0Z
Chemical Name:
1H-Azepine, 1-(3-bromo-1-methylpropyl)hexahydro-, hydrobromide
CAS Number:
88836-31-1
Molecular Formula:
C10H21Br2N
Molecular Weight:
315.0884
IUPAC Name:
1-(4-bromobutan-2-yl)azepane;hydrobromide
InChI:
InChI=1S/C10H20BrN.BrH/c1-10(6-7-11)12-8-4-2-3-5-9-12;/h10H,2-9H2,1H3;1H
InChI Key:
XTQFCGNGAADJKI-UHFFFAOYSA-N
SMILES:
BrCCC(N1CCCCCC1)C.Br
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.002g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.093g/mol
Monoisotopic Mass:
313.004g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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