1-(4-Methoxyphenyl)-1-phenylmethanamine

HCID 350041

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Basic information

CAS: 2538-34-3
Standard SMILES: COc1ccc(C(N)c2ccccc2)cc1
InChIKey: MXDBCXKVTJDKNP-UHFFFAOYSA-N
Molecular formula: C14H15NO
Average molar mass: 213.27 g/mol
Monoisotopic mass: 213.1153641

Names & identifiers

Preferred name: 1-(4-Methoxyphenyl)-1-phenylmethanamine
IUPAC: (4-methoxyphenyl)-phenylmethanamine
English name: C-(4-Methoxy-phenyl)-C-phenyl-methylamine
Molecular formula: C14H15NO
Molecular weight: 213.28

Names & synonyms

1-(4-methoxyphenyl)-1-phenylmethanamineDTXSID60967100RefChem:1054421DTXCID0013947052538-34-3C-(4-Methoxy-phenyl)-C-phenyl-methylamine(4-methoxyphenyl)(phenyl)methanamine(4-methoxyphenyl)-phenylmethanamineMFCD000536394-Methoxy-alpha-phenylbenzenemethanamine(4-methoxyphenyl)phenylmethylamine4-methoxybenzhydrylamine

Show more names

AKOS BC-0992TIMTEC-BB SBB007370P-METHOXYBENZHYDRYLAMINE(4-METHOXYPHENYL)(PHENYL)METHYLAMINE4-Methoxy-α-phenylbenzenemethanamineBenzenemethanamine, 4-methoxy-α-phenyl-methyl (R)-2-amino-3-(2-chloro-4-methylphenyl)propanoate hydrochloride

alpha-(4-methoxyphenyl)benzylamineNSC505711p-MethoxybenzhydrylaminTimTec1_001612Oprea1_347793Oprea1_521407SCHEMBL2153570SCHEMBL2153572

Database identifiers

CAS: 2538-34-3、5267-46-9
PubChem CID: 350041
DTXSID: DTXSID60967100
EC Number: 196-110-2
Nikkaji: J346.218H

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 193

Physicochemical properties

Melting point: 120 · 120-121 °C(Solvent: Ethanol 50%)
Boiling point: 193 °C · 193 °C(Press: 11 Torr)
Density: 1.181 · 1.181
refractive index: 1.581 · 1.581
pka: 8.61 · 8.610±0.10(predicted)
Symbol(GHS): 2 · GHS02
Signal word: Danger
Hazard statements: 225 · H225
Precautionary statements: 501 · P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
Hazard Codes: Xi
HazardClass: IRRITANT

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS02
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H225
Precautionary statements: P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235