3-Methoxy-N,N-dimethylbenzylamine

HCID 547434

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Basic information

CAS: 15184-99-3
Standard SMILES: COc1cccc(CN(C)C)c1
InChIKey: IENUHHADGQLQLU-UHFFFAOYSA-N
Molecular formula: C10H15NO
Average molar mass: 165.23 g/mol
Monoisotopic mass: 165.1153641

Names & identifiers

Preferred name: 3-Methoxy-N,N-dimethylbenzylamine
IUPAC: 1-(3-methoxyphenyl)-N,N-dimethylmethanamine
English name: 3-Methoxy-N,N-dimethylbenzylamine
Molecular formula: C10H15NO
Molecular weight: 165.23

Names & synonyms

3-Methoxy-N,N-dimethylbenzylamine15184-99-3DTXSID80338196RefChem:503201DTXCID10289283623-692-11-(3-methoxyphenyl)-N,N-dimethylmethanamine(3-Methoxybenzyl)dimethylamineMFCD000115303-Methoxy-N,N-dimethyl-Benzenemethanamine[(3-methoxyphenyl)methyl]dimethylamineBenzenemethanamine, 3-methoxy-N,N-dimethyl-

Show more names

3-Methoxy-N,N-dimethylbenzenemethanamineSCHEMBL850832SCHEMBL10376085SCHEMBL18705611SCHEMBL18705942SCHEMBL18706270SCHEMBL29547354N,N-dimethyl-3-methoxybenzylamine

Database identifiers

CAS: 15184-99-3
PubChem CID: 547434
DTXSID: DTXSID80338196
EC Number: 623-692-1
Nikkaji: J364.625D

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 125

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Boiling point: 105 °C13 · 105 °C13 mm Hg(lit.)
Density: 0.984 g/mL · 0.984 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.514(lit.)
Flash point: 205 °F · 205 °F
form: Liquid
pka: 8.88 · 8.88±0.28(Predicted)
color: Colorless
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338-P280a-P304+P340-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3

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)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.