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1,3-Phenylenediamine

CAT: 0572-TRC-P319835-5GSize: 5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-P319835-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
108-45-2
Synonyms
1,3-Benzenediamine; m-Phenylenediamine (8CI); 1,3-Diaminobenzene; 1,3-Diaminophenylene; 3-Aminoaniline; C.I. Developer 11; Developer C; Developer H; Developer M; Direct Brown BR; Direct Brown GG; MPDA; Maleid F; NSC 4776; RT 30H; m-Aminoaniline; m-Benzenediamine; m-Diaminobenzene; GI 147649X; Trametinib related
Hazard Statement
Toxic if swallowed; UN number: UN1673; Packing Group: III
Purity
>95% (HPLC)
Smiles
Nc1cccc(N)c1
Molecular Formula
C6 H8 N2
Molecular Weight
108.14
InChI
InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2
Additionnal Information
IUPAC name: benzene-1,3-diamine
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

M-Phenylenediamine

1,3-phenylenediamine is a phenylenediamine taht is benzene substituted at positions 1 and 3 with amino functions.

CAS Number108-45-2
PubChem CID7935
IUPAC Namebenzene-1,3-diamine
Molecular FormulaC6H8N2
Molecular Weight108.14
XLogP-0.3
Topological Polar Surface Area52
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity64
SMILES
C1=CC(=CC(=C1)N)N
InChI
InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2
InChIKey
WZCQRUWWHSTZEM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of M-Phenylenediamine
CAS: 108-45-2
CID: 7935
Formula: C6H8N2
MW: 108.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight108.14
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass108.068748264
Monoisotopic Mass108.068748264
Topological Polar Surface Area52 Ų
Heavy Atom Count8
Formal Charge0
Complexity64.9
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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