2,6-Dimethoxybenzylamine

HCID 2800872

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Basic information

CAS: 20781-22-0
Standard SMILES: COc1cccc(OC)c1CN
InChIKey: XEKGMBAKVJAVAZ-UHFFFAOYSA-N
Molecular formula: C9H13NO2
Average molar mass: 167.2 g/mol
Monoisotopic mass: 167.09462866

Names & identifiers

Preferred name: 2,6-Dimethoxybenzylamine
IUPAC: (2,6-dimethoxyphenyl)methanamine
English name: 2,6-Dimethoxybenzylamine
Molecular formula: C9H13NO2
Molecular weight: 167.21

Names & synonyms

2,6-Dimethoxybenzylamine20781-22-0DTXSID80384193RefChem:248436DTXCID90335217XEKGMBAKVJAVAZ-UHFFFAOYSA-N(2,6-dimethoxyphenyl)methanamineBenzenemethanamine, 2,6-dimethoxy-MFCD00052812(2,6-dimethoxyphenyl)methylamine1-(2,6-DIMETHOXYPHENYL)METHANAMINECHEMBL3114406

Show more names

2,6-Dimethoxybenzylamine, 95%(2,6-Dimethoxyphenyl)methanamine - [D88754]

2,6-dimethoxybenzyl amine2,6-Dimethoxybenzyla2,6dimethoxybenzylamine2,6-dimethoxybenzyiamineSCHEMBL113737SCHEMBL7748892,6-Dimethoxybenzylamine 95%RARECHEM AL BW 1093

Database identifiers

CAS: 20781-22-0
PubChem CID: 2800872
DTXSID: DTXSID80384193
ChEMBL: CHEMBL3114406、CHEMBL3139294
EC Number: 679-217-3

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 44.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 118

Physicochemical properties

Melting point: 82 °C · 82 °C
Boiling point: 108 · 108-110°C 1mm
Density: 1.062 · 1.062±0.06 g/cm3(Predicted)
Flash point: 108 · 108-110°C/1mm
storage temp.: 2 · 2-8°C, protect from light
pka: 9.23 · 9.23±0.10(Predicted)
Appearance: White to yellow Solid
Sensitive: Moisture Sensitive/Air Sensitive
BRN: 2965661 · 2965661
CAS DataBase Reference: 20781 · 20781-22-0(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P405-P501
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3259 · 3259
Hazard Note: Corrosive/Air Sensitive/Moisture Sensitive
HazardClass: 8 · 8
PackingGroup: III
HS Code: 2922290090 · 2922290090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

ridadr: 3259
hs_code: 2922290090
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive/Air Sensitive/Moisture Sensitive
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Hazard statements: H314
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P405-P501