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59937-25-6 | 1,8-dimethyl-2,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepine
CAS No: 59937-25-6 Catalog No: AG01DIUS MDL No:
Product Description
Catalog Number:
AG01DIUS
Chemical Name:
1,8-dimethyl-2,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepine
CAS Number:
59937-25-6
Molecular Formula:
C10H15N3
Molecular Weight:
177.2462
IUPAC Name:
1,8-dimethyl-2,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepine
InChI:
InChI=1S/C10H15N3/c1-8-3-4-9-7-11-5-6-13(2)10(9)12-8/h3-4,11H,5-7H2,1-2H3
InChI Key:
OMLNCOONAQDILW-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(n1)N(C)CCNC2
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.127g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.251g/mol
Monoisotopic Mass:
177.127g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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