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88366-05-6 | 1H-1,2-Diazepine-7-acetamide, 6,7-dihydro-5-methyl-
CAS No: 88366-05-6 Catalog No: AG004MP5 MDL No:
Product Description
Catalog Number:
AG004MP5
Chemical Name:
1H-1,2-Diazepine-7-acetamide, 6,7-dihydro-5-methyl-
CAS Number:
88366-05-6
Molecular Formula:
C8H13N3O
Molecular Weight:
167.2083
IUPAC Name:
2-(5-methyl-6,7-dihydro-1H-diazepin-7-yl)acetamide
InChI:
InChI=1S/C8H13N3O/c1-6-2-3-10-11-7(4-6)5-8(9)12/h2-3,7,11H,4-5H2,1H3,(H2,9,12)
InChI Key:
JMZZVBOLQDSAMH-UHFFFAOYSA-N
SMILES:
NC(=O)CC1NN=CC=C(C1)C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.106g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.212g/mol
Monoisotopic Mass:
167.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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