2,2-Diphenylethylamine

HCID 77575

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Basic information

CAS: 3963-62-0
Standard SMILES: NCC(c1ccccc1)c1ccccc1
InChIKey: RXMTUVIKZRXSSM-UHFFFAOYSA-N
Molecular formula: C14H15N
Average molar mass: 197.27 g/mol
Monoisotopic mass: 197.12044948

Names & identifiers

Preferred name: 2,2-Diphenylethylamine
IUPAC: 2,2-diphenylethanamine
English name: 2,2-Diphenylethylamine
Molecular formula: C14H15N
Molecular weight: 197.28

Names & synonyms

2,2-Diphenylethylamine2,2-Diphenylethanamine3963-62-09XQD7X5YXDBenzeneethanamine, .beta.-phenyl-EINECS 223-565-7NSC-27209beta-phenylbenzeneethanamineDTXSID00192732ETHANAMINE, 2,2-DIPHENYL-.BETA.-PHENYLBENZENEETHANAMINENSC 27209

Show more names

AURORA KA-7665DIPHENYLETHYLAMINERARECHEM AL BW 0035TIMTEC-BB SBB0035722,2'-DIPHENYLETHYLAMINE2,2-Diphenylethylamine>2,2-DIPHENYLETHYLAMINE 96%

RefChem:441526Benzeneethanamine, beta-phenyl-DTXCID40115223223-565-72,2-Diphenylethan-1-Amine1-Amino-2,2-diphenylethaneMFCD000081432,2-Diphenyl-ethylamine

Database identifiers

CAS: 3963-62-0
PubChem CID: 77575
DTXSID: DTXSID00192732
ChEMBL: CHEMBL10780
UNII: 9XQD7X5YXD
EC Number: 223-565-7
Nikkaji: J149.896G

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 148

Physicochemical properties

Melting point: 48 · 48-49 °C (lit.)
Boiling point: 139 · 139-140 °C (1.2 mmHg)
Density: 1.0514 · 1.0514 (rough estimate)
refractive index: 1.5616 · 1.5616 (estimate)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
solubility: soluble in Methanol
pka: 9.16 · 9.16±0.10(Predicted)
form: Fused Solid
color: White to light yellow
CAS DataBase Reference: 3963 · 3963-62-0(CAS DataBase Reference)
FDA UNII: 9 XQD7X5YXD · 9XQD7X5YXD
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
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
HS Code: 29214990 · 29214990

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2.4% (1 of 42) of reports.

Warning

H315 (97.6%): 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.