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1422067-49-9 | 3-(pyrrolidin-1-ylmethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine
CAS No: 1422067-49-9 Catalog No: AG01DK74 MDL No:
Product Description
Catalog Number:
AG01DK74
Chemical Name:
3-(pyrrolidin-1-ylmethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine
CAS Number:
1422067-49-9
Molecular Formula:
C12H20N4
Molecular Weight:
220.3140
IUPAC Name:
3-(pyrrolidin-1-ylmethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine
InChI:
InChI=1S/C12H20N4/c1-2-7-15(6-1)10-11-9-14-12-3-4-13-5-8-16(11)12/h9,13H,1-8,10H2
InChI Key:
UZQXGKNBAIGJAT-UHFFFAOYSA-N
SMILES:
N1CCc2n(CC1)c(cn2)CN1CCCC1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.169g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.32g/mol
Monoisotopic Mass:
220.169g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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