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113443-74-6 | 4H-Oxazolo[4,5-d]azepin-2-amine, 5,6,7,8-tetrahydro-6-methyl-
CAS No: 113443-74-6 Catalog No: AG0008L3 MDL No:
Product Description
Catalog Number:
AG0008L3
Chemical Name:
4H-Oxazolo[4,5-d]azepin-2-amine, 5,6,7,8-tetrahydro-6-methyl-
CAS Number:
113443-74-6
Molecular Formula:
C8H13N3O
Molecular Weight:
167.2083
IUPAC Name:
6-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine
InChI:
InChI=1S/C8H13N3O/c1-11-4-2-6-7(3-5-11)12-8(9)10-6/h2-5H2,1H3,(H2,9,10)
InChI Key:
WHFUXKXGAUGBLE-UHFFFAOYSA-N
SMILES:
CN1CCc2c(CC1)nc(o2)N
Properties
Complexity:
164
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:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.212g/mol
Monoisotopic Mass:
167.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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