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Antalarmin hydrochloride

CAT: 1266-JH212703Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH212703Size:1 Each
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CAS Number
220953-69-5
UN Code
UN 2845
Hazard Statement
Xi
Stability
Stable under normal temperatures and pressures.
Molecular Formula
C24H35ClN4
Molecular Weight
415.02
Product Name Synonym
N-butyl-N-ethyl-2,5,6-trimethyl-7- (2,4,6-trimethylphenyl) pyrrolo[2,3-d]pyrimidin-4-amine, hydrochloride
Physical Properties
Lemon Yellow Powder
Hazardous Class
3
Safety Statements
S22; S24/25
Density
1.252g/cm3
Flash Point
150.3oC
RIDADR
UN 2845
Melting Point
65-68oC

Chemical Information

Antalarmin hydrochloride
CAS Number220953-69-5
PubChem CID16078945
IUPAC NameN-butyl-N-ethyl-2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
Molecular FormulaC24H35ClN4
Molecular Weight415.0
Topological Polar Surface Area34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity485
SMILES
CCCCN(CC)C1=NC(=NC2=C1C(=C(N2C3=C(C=C(C=C3C)C)C)C)C)C.Cl
InChI
InChI=1S/C24H34N4.ClH/c1-9-11-12-27(10-2)23-21-18(6)19(7)28(24(21)26-20(8)25-23)22-16(4)13-15(3)14-17(22)5;/h13-14H,9-12H2,1-8H3;1H
InChIKey
CGDGXEDXEXACKQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antalarmin hydrochloride
CAS: 220953-69-5
CID: 16078945
Formula: C24H35ClN4
MW: 415.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass414.2550248
Monoisotopic Mass414.2550248
Topological Polar Surface Area34 Ų
Heavy Atom Count29
Formal Charge0
Complexity485
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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