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88879-71-4 | Cyclopenta[d][1,2]diazepine, 1,6,7,8-tetrahydro-4-methyl-
CAS No: 88879-71-4 Catalog No: AG0049JM MDL No:
Product Description
Catalog Number:
AG0049JM
Chemical Name:
Cyclopenta[d][1,2]diazepine, 1,6,7,8-tetrahydro-4-methyl-
CAS Number:
88879-71-4
Molecular Formula:
C9H12N2
Molecular Weight:
148.2050
IUPAC Name:
4-methyl-1,6,7,8-tetrahydrocyclopenta[d]diazepine
InChI:
InChI=1S/C9H12N2/c1-7-5-8-3-2-4-9(8)6-10-11-7/h5H,2-4,6H2,1H3
InChI Key:
NASUMZKJYGYUQZ-UHFFFAOYSA-N
SMILES:
CC1=CC2=C(CN=N1)CCC2
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.1g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.209g/mol
Monoisotopic Mass:
148.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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