CAS 772-54-3 Benzenemethanamine, N,N-diethyl- (HCID 61211)

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Basic information

CAS: 772-54-3
Standard SMILES: CCN(CC)Cc1ccccc1
InChIKey: ZWRDBWDXRLPESY-UHFFFAOYSA-N
Molecular formula: C11H17N
Average molar mass: 163.26 g/mol
Monoisotopic mass: 163.13609954

Overview

N, N-Diethylbenzylamine is an aromatic amine.

Names & identifiers

Preferred name: Benzenemethanamine, N,N-diethyl-
IUPAC: N-benzyl-N-ethylethanamine
English name: N-Benzyldiethylamine
Molecular formula: C11H17N
Molecular weight: 163.26

Names & synonyms

N-Benzyl-N-ethylethanamine772-54-3N,N-DIETHYLBENZYLAMINEN-BenzyldiethylamineBenzyldiethylamineDiethylbenzylamineBenzenemethanamine, N,N-diethyl-Benzylamine, N,N-diethyl-N,N-diethylbenzenemethanamineSVL34TWR94EINECS 212-251-5n-benzyl-n,n-diethylamine

Show more names

AURORA KA-7522N-DiethylbenzylaMineN-BenzyldiethylaMine-d4N,N-Diethylbenzylamine >

NSC-128147DTXSID6073237N-(PHENYLMETHYL)DIETHYLAMINENSC 128147RefChem:563323DTXCID0047957212-251-5MFCD00026731

Database identifiers

CAS: 772-54-3
PubChem CID: 61211
DTXSID: DTXSID6073237
ChEBI: CHEBI:228330
UNII: SVL34TWR94
EC Number: 212-251-5
Nikkaji: J147.343C

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 102

Experimental & physicochemical properties

SpringerMaterials PropertiesSurface tension

Physicochemical properties

Boiling point: 211 · 211-212 °C
Density: 0 · 0,89 g/cm3
refractive index: 1.496 · 1.4960-1.4990
Flash point: 77 °C · 77°C
storage temp.: 2 · Inert atmosphere,2-8°C
solubility: Chloroform, Methanol
pka: 1 · pK1:9.48(+1) (25°C)
form: Oil
color: Pale Yellow
FDA UNII: 34 TWR94 · SVL34TWR94
EPA Substance Registry System: Benzenemethanamine, N,N-diethyl- (772-54-3)
Symbol(GHS): 5 · GHS05
Signal word: Danger

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (97.5%)

Safety data

ridadr: 2735
hs_code: 2921490090
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
safety_code: 26-36/37/39
hazard_class: 8
packing_group: III
Hazard statements: H227-H314
Precautionary statements: P210-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P403+P235-P405-P501

Chemistry & industry

Applications

UsesN-Benzyldiethylamine-d4 is an intermediate in the synthesis of labelled N-Nitrosodiethylamine (N525465), a widely occurring nitrosamine that is one of the most important environmental carcinogens primarily inducing tumors of liver.