N-Methylhomoveratrylamine

2-(3,4-dimethoxyphenyl)-N-methylethan-1-amine · 2-(3,4-DIMETHOXYPHENYL)-N-METHYLETHYLAMINE · AURORA KA-7753 · AKOS BBS-00006509 · Verapamil Impurity B · Verapamil EP Impurity B · N-METHYLHOMOVERATRYLAMINE · 3,4-DIMETHOXY-N-METHYLPHENETHYLAMINE

https://huagongshe.com/en/chemical/77039

N-Methylhomoveratrylamine molecular structure

Identifiers & Physical Properties

CAS No.	3490-06-0
Molecular formula	C11H17NO2
Average molar mass	195.26 g/mol
Monoisotopic mass	195.12592878 g/mol
SMILES	CNCCc1ccc(OC)c(OC)c1
InChIKey	HNJWKRMESUMDQE-UHFFFAOYSA-N
PubChem CID	77039
ChEMBL	CHEMBL1404381
EC No.	222-483-9
DTXSID	DTXSID70188460

Chemical & Physical Properties

XLogP	1.3
Topological polar surface area	30.5
Hydrogen bond donors	1
Hydrogen bond acceptors	3
Rotatable bonds	5
Heavy atoms	14
Formal charge	0
Complexity	152
Solubility	>29.3 [ug/mL] (The mean of the results at pH 7.4)Chloroform (Soluble), Methanol (Soluble)
Boiling point	160-161 °C13 mm Hg(lit.)
Density	1.059 g/mL at 25 °C(lit.)
Refractive index	n20/D 1.533(lit.)
Flash point	>230 °F
pKa (acidity coefficient)	10.16±0.10(Predicted)
Physical state	Oil
Color	Colourless to Pale Yellow
LogP (partition coefficient)	1.304
CAS DataBase Reference	3490-06-0(CAS DataBase Reference)
FDA UNII	5H5ZH95EHG
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H315-H319-H335
GHS precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338
Hazard symbols	Xi
Risk statements (R)	36/37/38
Safety statements (S)	26-37/39
UN transport number	1760
Water hazard class (WGK)	3
Hazard class	8
Packing group	III
Customs code	29222990
REACH registrations	Active

Safety & Regulations

GHS classification	DangerH302 (59.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 174 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatory information	Status: Active Update: 11-06-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6861
Hazard Classes and Categories	Acute Tox. 4 (59.8%)
Water hazard class (WGK)	3
UN transport number	1760
Customs code	29222990
Risk statements (R)	36/37/38
Signal word	Warning
GHS pictogram	GHS07
Hazard symbols	Xi
Safety statements (S)	26-37/39
Hazard class	8
Packing group	III
GHS hazard statements	H315-H319-H335
REACH registrations	Active
GHS precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338

Applications & Uses

Uses

Fundamental synthetic intermediate, N-Methylhomoveratrylamine can be used for the preparation of a variety of biologically active compounds.