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1445951-88-1 | 2-Methyl-1,4,5,6,7,8-Hexahydroimidazo[4,5-D]Azepine Hydrochloride
CAS No: 1445951-88-1 Catalog No: AG01DTKX MDL No:MFCD25509398
Product Description
Catalog Number:
AG01DTKX
Chemical Name:
2-Methyl-1,4,5,6,7,8-Hexahydroimidazo[4,5-D]Azepine Hydrochloride
CAS Number:
1445951-88-1
Molecular Formula:
C8H14ClN3
Molecular Weight:
187.6699
MDL Number:
MFCD25509398
IUPAC Name:
2-methyl-1,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine;hydrochloride
InChI:
InChI=1S/C8H13N3.ClH/c1-6-10-7-2-4-9-5-3-8(7)11-6;/h9H,2-5H2,1H3,(H,10,11);1H
InChI Key:
HWBDHPBZPKYDQE-UHFFFAOYSA-N
SMILES:
Cc1nc2c([nH]1)CCNCC2.Cl
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.088g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
187.671g/mol
Monoisotopic Mass:
187.088g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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