2,4-Dimethoxybenzylamine hydrochloride

HCID 3084343

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Basic information

CAS: 20781-21-9
Standard SMILES: COc1ccc(CN)c(OC)c1.Cl
InChIKey: KJOWSAVFSCSBMZ-UHFFFAOYSA-N
Molecular formula: C9H14ClNO2
Average molar mass: 203.66 g/mol
Monoisotopic mass: 203.07130637

Names & identifiers

Preferred name: 2,4-Dimethoxybenzylamine hydrochloride
IUPAC: (2,4-dimethoxyphenyl)methanamine;hydrochloride
English name: 2,4-Dimethoxybenzylamine hydrochloride
Molecular formula: C9H14ClNO2
Molecular weight: 203.67

Names & synonyms

20781-21-92,4-Dimethoxybenzylamine hydrochlorideEINECS 244-036-7Benzenemethanamine, 2,4-dimethoxy-, hydrochlorideDTXSID40174870RefChem:443700DTXCID1097361244-036-7(2,4-dimethoxyphenyl)methanamine hydrochlorideMFCD000128542,4-Dimethoxy-benzylamine hydrochloride(2,4-dimethoxyphenyl)methanamine;hydrochloride

Show more names

TIMTEC-BB SBB0004282,4-DimethoxybenzylamineHCl(2,4-dimethoxyphenyl)methylammonium4-DiMethoxybenzylaMine hydrochloride2-4-DIMETHOXYBENZYLAMINE HCL*CRYSTALLINE2,4-Dimethoxybenzylamine hydrochloride,97%2,4-DIMETHOXYBENZYLAMINE HYDROCHLORIDE 97%2,4-DiMethoxybenzylaMine hydrochloride, 97% 5GR

Benzenemethanamine, 2,4-dimethoxy-, hydrochloride (1:1)(2,4-dimethoxyphenyl)methylamine, chloride1-(2,4-DIMETHOXYPHENYL)METHANAMINE HYDROCHLORIDE2,4-Dimethoxybenzylamine, HCl2,4-DIMETHOXY-BENZYLAMINE HCL(2,4-dimethoxyphenyl)methanamine,hydrochlorideSCHEMBL1197172SBB000428

Database identifiers

CAS: 20781-21-9
PubChem CID: 3084343
DTXSID: DTXSID40174870
EC Number: 244-036-7

Properties

Computed structural properties

Topological polar surface area: 44.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 130

Physicochemical properties

Melting point: 188 · 188-190 °C(lit.)
storage temp.: 20 °C · −20°C
form: powder
Appearance: Light yellow to yellow Solid
InChI: 1S/C9H13NO2.ClH/c1-11-8-4-3-7(6-10)9(5-8)12-2;/h3-5H,6,10H2,1-2H3;1H
InChIKey: KJOWSAVFSCSBMZ-UHFFFAOYSA-N
SMILES: Cl.COc1ccc(CN)c(OC)c1
CAS DataBase Reference: 20781 · 20781-21-9(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H315-H319-H332-H335
Precautionary statements: 233 · P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P322-P330-P332+P313-P337+P313-P340-P362-P363-P403-P403+P233-P405-P501
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
HS Code: 29214300 · 29214300
Storage Class: 13 · 13 - Non Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Safety data

wgk: 3
hs_code: 29214300
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Storage Class: 13 - Non Combustible Solids
Hazard statements: H302-H312-H315-H319-H332-H335
Precautionary statements: P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P322-P330-P332+P313-P337+P313-P340-P362-P363-P403-P403+P233-P405-P501