3-Methoxy-N-methylbenzylamine

HCID 5152225CAS 41789-95-1
Substructure searchFind similar structures

Basic information

Standard SMILES
CNCc1cccc(OC)c1
InChIKey
FIFKRPFWLHBMHL-UHFFFAOYSA-N
Molecular formula
C9H13NO
Average molar mass
151.21 g/mol
Monoisotopic mass
151.09971404

Names & identifiers

Preferred name
3-Methoxy-N-methylbenzylamine
IUPAC
1-(3-methoxyphenyl)-N-methylmethanamine
English name
3-Methoxy-N-methylbenzylamine 97
Molecular formula
C9H13NO
Molecular weight
151.21

Names & synonyms

41789-95-13-Methoxy-N-methylbenzylamineDTXSID90408899RefChem:280480DTXCID90359751627-600-01-(3-methoxyphenyl)-N-methylmethanamineN-methyl-3-methoxybenzylamineMFCD04618244[(3-methoxyphenyl)methyl](methyl)amine3-METHOXY-N-METHYLBENZYLAMINE 97(3-Methoxyphenyl)-N-MethylMethanaMine
Show more names
Diclofensine Impurity 1(3-methoxybenzyl)methylamineN-(3-METHOXYBENZYL)-N-METHYLAMINE3-Methoxy-N-methylbenzylamine 973-Methoxy-1-(MethylaMinoMethyl)benzene
1-(3-methoxyphenyl)-N-methylmethanamine hydrochloride[(3-methoxyphenyl)methyl]methylamine1-(3-methoxyphenyl)-N-methyl-methanamine(3-Methoxybenzyl)methylamine; 1-(3-Methoxyphenyl)-N-methylmethanamine; 3-Methoxy-1-(methylaminomethyl)benzene; N-(3-Methoxybenzyl)-N-methylamine; N-Methyl-1-[3-(methoxy)phenyl]methanamine; N-Methyl-3-methoxybenzylamine3-METHOXY-N-METHYLBESCHEMBL297410N-methyl-3-methoxy-benzylamineSCHEMBL2076794

Database identifiers

CAS
41789-95-1
PubChem CID
5152225
DTXSID
DTXSID90408899
EC Number
627-600-0
Nikkaji
J2.696.461J

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
21.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
11

Physicochemical properties

Boiling point
130 · 130-133 °C28 mm Hg(lit.)
Density
1.014 g/mL · 1.014 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.5290(lit.)
Flash point
212 °F · 212 °F
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
Soluble in chloroform, dichloromethane, ethyl acetate and methanol.

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Sens. 1 (100%)；Eye Dam. 1 (100%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
2
hs_code
2922290090
risk_code
22-41-43
Signal word
Danger
Symbol(GHS)
GHS05,GHS07

Chemistry & industry

Applications

Uses3-Methoxy-N-methylbenzylamine is used as an intermediate in the synthesis of diclofensine hydrochloride.

Upstream & downstream products

Suppliers50 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

Related reactions

14 records
New reaction record

Linked notes

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