2-(4-Methoxyphenyl)-1,1-dimethylethylamine

HCID 91892

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Basic information

CAS: 56490-94-9
Standard SMILES: COc1ccc(CC(C)(C)N)cc1
InChIKey: DUMKDWRRTLFHTA-UHFFFAOYSA-N
Molecular formula: C11H17NO
Average molar mass: 179.26 g/mol
Monoisotopic mass: 179.13101416

Names & identifiers

Preferred name: 2-(4-Methoxyphenyl)-1,1-dimethylethylamine
IUPAC: 1-(4-methoxyphenyl)-2-methylpropan-2-amine
English name: 1-(4-methoxyphenyl)-2-methylpropan-2-amine
Molecular formula: C11H17NO
Molecular weight: 179.26

Names & synonyms

1-(4-methoxyphenyl)-2-methylpropan-2-amine56490-94-9DTXSID5012650702-(4-methoxyphenyl)-1,1-dimethylethylamineRefChem:457915DTXCID001459086842-161-72-(4-Methoxy-phenyl)-1,1-dimethyl-ethylamineMFCD098885831,1-dimethyl-2-(4-methoxyphenyl)ethylamineMebeverine Impurity 4VVT3PXC8B3

Show more names

Odatero Impurity 11Olodaterol Impurity 9Benzeneethanamine, 4-methoxy-α,α-dimethyl-2-Methyl-1-(4-methoxyphenyl)-2-propanamine1-(2-amino-2-methylpropyl)-4-methoxybenzene1-(4-methoxyphenyl)-2-methylpropan-2-amine16

1-(4-methoxyphenyl)-2-methyl-propan-2-amineBenzeneethanamine, 4-methoxy-alpha,alpha-dimethyl-SCHEMBL183751CHEMBL149858SCHEMBL8852063DUMKDWRRTLFHTA-UHFFFAOYSA-NGCA49094AKOS012576694

Database identifiers

CAS: 56490-94-9
PubChem CID: 91892
DTXSID: DTXSID501265070
ChEMBL: CHEMBL149858
UNII: VVT3PXC8B3
EC Number: 842-161-7
Nikkaji: J1.399.414E

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 148

Physicochemical properties

Boiling point: 269.4 · 269.4±15.0 °C(Predicted)
Density: 0.979 · 0.979±0.06 g/cm3(Predicted)
pka: 10 · 10.00±0.25(Predicted)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 318 · H318-H302-H335-H315
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H318-H302-H335-H315
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310