(3,5-Dimethoxyphenyl)methanamine

HCID 420973
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Basic information

CAS
34967-24-3
Standard SMILES
COc1cc(CN)cc(OC)c1
InChIKey
YGZJTYCCONJJGZ-UHFFFAOYSA-N
Molecular formula
C9H13NO2
Average molar mass
167.2 g/mol
Monoisotopic mass
167.09462866

Names & identifiers

Preferred name
(3,5-Dimethoxyphenyl)methanamine
IUPAC
(3,5-dimethoxyphenyl)methanamine
English name
3,5-Dimethoxybenzylamine
Molecular formula
C9H13NO2
Molecular weight
167.21

Names & synonyms

(3,5-Dimethoxyphenyl)methanamineRefChem:399384628-188-53,5-Dimethoxybenzylamine34967-24-33,5-Dimethoxybenzyl amine1-(3,5-dimethoxyphenyl)methanamineMFCD000528133,5-dimethoxy benzylamine3,5-dimethoxy-benzylamineCS-W010798AB02211
Show more names
Albb-005365RARECHEM AL BW 01623,5-DimethoxybenzylaGlycerol Impurity 373,5-Dimethoxybenzylamine>3,5-DiMethoxybenzylaMine 98%3,5-Dimethoxybenzylamine, 98%
3,5-Dimethoxy benzyl amineEN300-35206(3,5-dimethoxyphenyl)methylamineBenzenemethanamine, 3,5-dimethoxy-3,5-dimethoxybenzenemethanamineAM20061143FT-0639225A822485

Database identifiers

CAS
34967-24-3
PubChem CID
420973
DTXSID
DTXSID50956422
ChEMBL
CHEMBL217755
EC Number
628-188-5
Nikkaji
J88.978D

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
44.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
12

Physicochemical properties

Melting point
35 · 35-37 °C (lit.)
Boiling point
94 · 94-96 °C/0.1 mmHg (lit.)
Density
1.106 g/mL · 1.106 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.542(lit.)
Flash point
230 °F · >230 °F
storage temp.
2 · Keep in dark place,Inert atmosphere,2-8°C

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (95.1%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (95.1%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
ridadr
3259
hs_code
29222990
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Applications · 2 items

Uses3,5-Dimethoxybenzylamine was used in the preparation of trisammonium tris(hexafluoro phosphate) salt. It was also used in the synthesis of well defined, homogeneous [n]rotaxanes (n up to 11) by a template-directed thermodynamic clipping approach.

General Description3,5-Dimethoxybenzylamine was prepared by LiAlH4-reduction of 3,5-dimethoxybenzaldoxime.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

46 records
New reaction record

Compound notes

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