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1,3-Benzenedimethanamine

CAT: 0572-TRC-B203578-2.5GSize: 2.5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-B203578-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1477-55-0
Synonyms
m-Xylene-α,α'-diamine (6CI,8CI); 1,3-Benzenebis(methylamine); 1,3-Bis(aminomethyl)benzene; 1,3-Xylylenediamine; 3-(Aminomethyl)benzylamine; Aradur 22; Aramine 31-487; Benzene-1,3-diyldimethanamine; Epilink MX; Euredur 22; MXDA; NSC 61568; Shoamine X; m-(α,α'-Diamino)xylene; m-Xylene diamine; m-Xylylene-α,α'-diamine; m-Xylylenediamine; α,α'-Diamino-m-xylene; α,α'-m-Xylenediamine; 1,3-Benzenedimethanamine
Hazard Statement
Harmful if swallowed; UN number: UN2735; Packing Group: II
Purity
>95% (GC)
Smiles
NCc1cccc(CN)c1
Molecular Formula
C8 H12 N2
Molecular Weight
136.19
InChI
InChI=1S/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,9-10H2
Additionnal Information
IUPAC name: [3-(aminomethyl)phenyl]methanamine
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1,3-Benzenedimethanamine

M-xylene-alpha,alpha'-diamine is a colorless liquid with an amine smell. Mp: 14.1 °C; bp: 273 °C. Water soluble.

CAS Number1477-55-0
PubChem CID15133
IUPAC Name[3-(aminomethyl)phenyl]methanamine
Molecular FormulaC8H12N2
Molecular Weight136.19
XLogP-0.3
Topological Polar Surface Area52
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity83
SMILES
C1=CC(=CC(=C1)CN)CN
InChI
InChI=1S/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,9-10H2
InChIKey
FDLQZKYLHJJBHD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Benzenedimethanamine
CAS: 1477-55-0
CID: 15133
Formula: C8H12N2
MW: 136.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.19
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass136.100048391
Monoisotopic Mass136.100048391
Topological Polar Surface Area52 Ų
Heavy Atom Count10
Formal Charge0
Complexity83.3
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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