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Biphenyl-2,4,4'-triamine

CAT: 0572-TRC-B055710-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B055710-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2835-69-0
Hazard Statement
No Data Available
Smiles
Nc1ccc(cc1)c2ccc(N)cc2N
Molecular Formula
C12 H13 N3
Molecular Weight
199.252
InChI
InChI=1S/C12H13N3/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7H,13-15H2
Additionnal Information
IUPAC name: 4-(4-aminophenyl)benzene-1,3-diamine
Shipping Conditions
Room Temperature

Chemical Information

[1,1'-Biphenyl]-2,4,4'-triamine
CAS Number2835-69-0
PubChem CID14794838
IUPAC Name4-(4-aminophenyl)benzene-1,3-diamine
Molecular FormulaC12H13N3
Molecular Weight199.25
XLogP1.7
Topological Polar Surface Area78.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity199
SMILES
C1=CC(=CC=C1C2=C(C=C(C=C2)N)N)N
InChI
InChI=1S/C12H13N3/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7H,13-15H2
InChIKey
GMJHZZCVWDJKFB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [1,1'-Biphenyl]-2,4,4'-triamine
CAS: 2835-69-0
CID: 14794838
Formula: C12H13N3
MW: 199.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight199.25
XLogP31.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass199.110947427
Monoisotopic Mass199.110947427
Topological Polar Surface Area78.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity199
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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CatalogName
OR1056845-01[1,1'-Biphenyl]-2,4,4'-triamine
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DAA54650-01Pyrimidine-2,4,5-triamine
OR1014874Quinazoline-2,4,6-triamine
abx188862-01Pyridine-2,3,4-Triamine Hydrochloride
OR185756-Phenylpteridine-2,4,7-triamine
OR1059029-015-Chloropyrimidine-2,4,6-triamine
OR95750-01N1-Phenylbenzene-1,2,4-triamine
AR-B01127-01N1-methylbenzene-1,2,4-triamine

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