2-(4-Biphenyl)ethylamine

HCID 28210CAS 17027-51-9

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Basic information

Standard SMILES: NCCc1ccc(-c2ccccc2)cc1
InChIKey: WHPLBPSDTIZFSX-UHFFFAOYSA-N
Molecular formula: C14H15N
Average molar mass: 197.27 g/mol
Monoisotopic mass: 197.12044948

Names & identifiers

Preferred name: 2-(4-Biphenyl)ethylamine
IUPAC: 2-(4-phenylphenyl)ethanamine
English name: 2-(4-Biphenyl)ethylamine
Molecular formula: C14H15N
Molecular weight: 197.28

Names & synonyms

2-(4-Biphenyl)ethylamine17027-51-9[1,1'-Biphenyl]-4-ethanamineDTXSID60274846(1,1'-Biphenyl)-4-ethanamineRefChem:456820DTXCID60226300625-774-22-(4-phenylphenyl)ethanamine2-([1,1'-Biphenyl]-4-yl)ethanamineMFCD013107862-(4-phenylphenyl)ethylamine

Show more names

RARECHEM AL BW 03684-Phenylphenethylamine1,1'-Biphenyl]-4-ethanamine2-(4-Biphenyl)ethylamine 98%2-(4-Biphenylyl)ethylamine, 98%

2-{[1,1'-biphenyl]-4-yl}ethan-1-amine2-(4-Biphenylyl)ethylamine2-([1,1'-Biphenyl]-4-yl)ethan-1-amine4-(2-aminoethyl)biphenyl2-(4-Phenylphenyl)Ethan-1-Amine2-biphenylethylamine4-biphenylethylamine4-biphenylethyl amine

Database identifiers

CAS: 17027-51-9
PubChem CID: 28210
DTXSID: DTXSID60274846
EC Number: 625-774-2
Nikkaji: J980.397A

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 164

Physicochemical properties

Melting point: 50 · 50-54 °C (lit.)
Boiling point: 144 °C · 144°C 5mm
Density: 1.031 · 1.031±0.06 g/cm3(Predicted)
Flash point: 210 °F · 210 °F
pka: 9.81 · 9.81±0.10(Predicted)
form: solid
Water Solubility: Insoluble in water.
Sensitive: Air Sensitive
InChI: 1S/C14H15N/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9H,10-11,15H2
InChIKey: WHPLBPSDTIZFSX-UHFFFAOYSA-N
SMILES: NCCc1ccc(cc1)-c2ccccc2
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HazardClass: IRRITANT, IRRITANT-HARMFUL
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.