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Methylproamine 50mg

CAT: 0628-A15160-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A15160-50Size:50 mg
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CAS Number
188247-01-0

Chemical Information

Methylproamine

a radioprotective agent; structure in first source

CAS Number188247-01-0
PubChem CID448201
IUPAC NameN,N,3-trimethyl-4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline
Molecular FormulaC28H31N7
Molecular Weight465.6
XLogP4.8
Topological Polar Surface Area67.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity709
SMILES
CC1=C(C=CC(=C1)N(C)C)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N6CCN(CC6)C
InChI
InChI=1S/C28H31N7/c1-18-15-20(33(2)3)6-8-22(18)28-30-23-9-5-19(16-25(23)32-28)27-29-24-10-7-21(17-26(24)31-27)35-13-11-34(4)12-14-35/h5-10,15-17H,11-14H2,1-4H3,(H,29,31)(H,30,32)
InChIKey
ADKLMOJIJGHCCD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methylproamine
CAS: 188247-01-0
CID: 448201
Formula: C28H31N7
MW: 465.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight465.6
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass465.26409402
Monoisotopic Mass465.26409402
Topological Polar Surface Area67.1 Ų
Heavy Atom Count35
Formal Charge0
Complexity709
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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