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CAT: 0926-EAA74961-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-EAA74961-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4749-61-5
MDL Number
MFCD01720903
Smiles
CCC1=C (C (=CC=C1) CC) NC2=NCCN2.Cl
Molecular Formula
C13H19N3·HCl
Molecular Weight
253.77 g/mol
Controlled
No

Chemical Information

1H-Imidazol-2-amine, N-(2,6-diethylphenyl)-4,5-dihydro-, hydrochloride (1:1)
CAS Number4749-61-5
PubChem CID185944
IUPAC NameN-(2,6-diethylphenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
Molecular FormulaC13H20ClN3
Molecular Weight253.77
Topological Polar Surface Area36.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity238
SMILES
CCC1=C(C(=CC=C1)CC)NC2=NCCN2.Cl
InChI
InChI=1S/C13H19N3.ClH/c1-3-10-6-5-7-11(4-2)12(10)16-13-14-8-9-15-13;/h5-7H,3-4,8-9H2,1-2H3,(H2,14,15,16);1H
InChIKey
ZLRWFGBEDNTMEU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1H-Imidazol-2-amine, N-(2,6-diethylphenyl)-4,5-dihydro-, hydrochloride (1:1)
CAS: 4749-61-5
CID: 185944
Formula: C13H20ClN3
MW: 253.77
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight253.77
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass253.1345753
Monoisotopic Mass253.1345753
Topological Polar Surface Area36.4 Ų
Heavy Atom Count17
Formal Charge0
Complexity238
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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