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3,4-Dimethoxybenzylamine

CAT: 0572-TRC-D476461-5GSize: 5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-D476461-5GSize:5 g
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CAS Number
5763-61-1
Synonyms
3,4-Dimethoxy-benzylamine; (3,4-Dimethoxyphenyl)methanamine; 3,4-Dimethoxybenzenemethanamine; 3,4-Dimethoxybenzylamine; [(3,4-Dimethoxyphenyl)methyl]amine
Hazard Statement
No Data Available; UN number: UN1760; Packing Group: II
Smiles
COc1ccc(CN)cc1OC
Molecular Formula
C9H13NO2
Molecular Weight
167.21
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Veratrylamine

RN given for parent cpd; structure given in first source

CAS Number5763-61-1
PubChem CID79832
IUPAC Name(3,4-dimethoxyphenyl)methanamine
Molecular FormulaC9H13NO2
Molecular Weight167.20
XLogP0.4
Topological Polar Surface Area44.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity130
SMILES
COC1=C(C=C(C=C1)CN)OC
InChI
InChI=1S/C9H13NO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6,10H2,1-2H3
InChIKey
DIVNUTGTTIRPQA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Veratrylamine
CAS: 5763-61-1
CID: 79832
Formula: C9H13NO2
MW: 167.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight167.20
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass167.094628657
Monoisotopic Mass167.094628657
Topological Polar Surface Area44.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity130
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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