Benzenamine, N-(2-chloroethyl)-N-ethyl-3-methyl-

HCID 89754

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Basic information

CAS: 22564-43-8
Standard SMILES: CCN(CCCl)c1cccc(C)c1
InChIKey: DLRPOOIAFCOLII-UHFFFAOYSA-N
Molecular formula: C11H16ClN
Average molar mass: 197.7 g/mol
Monoisotopic mass: 197.09712719

Names & identifiers

Preferred name: Benzenamine, N-(2-chloroethyl)-N-ethyl-3-methyl-
IUPAC: N-(2-chloroethyl)-N-ethyl-3-methylaniline
English name: N-Ethyl-N-chloroethyl-3-toluidine
Molecular formula: C11H16ClN
Molecular weight: 197.7

Names & synonyms

22564-43-8N-(2-Chloroethyl)-N-ethyl-m-toluidineBenzenamine, N-(2-chloroethyl)-N-ethyl-3-methyl-EINECS 245-082-0DTXSID70668091-(Ethyl(2'-chloroethyl)amino)-3-methylbenzeneBenzeneamine, N-(2-chloroethyl)-N-ethyl-3-methyl-N-(2-Chloroethyl)-N-ethyl-3-methylbenzenamineRefChem:561967DTXCID4036722N-(2-chloroethyl)-N-ethyl-3-methylanilineN-Ethyl-N-chloroethyl-3-toluidine

Show more names

N-Ethyl-N-chloro-m-toluidineN-(2-Chloroethyl)-N-ethylanilineN-ETHYL-N-CHLOROETHYL-M-TOLUIDINEN-ETHYL-N-2-CHLOROETHYL-M-TOLUIDINEN- ethyl N chloroethylstimethylamineN-Ethyl-N-chloroethyl-3-Methylaniline2-chloroethyl-ethyl-(3-methylphenyl)amine

MFCD00018942N-Ethyl-N-chloroethyN-ethyl-N-(beta-chloroethyl)-m-toluidineVH4C8S8GGWSCHEMBL2405546SCHEMBL30918104AKOS010540584AS-76988

Database identifiers

CAS: 22564-43-8
PubChem CID: 89754
DTXSID: DTXSID7066809
UNII: VH4C8S8GGW
Nikkaji: J37.695G

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 138

Physicochemical properties

Boiling point: 143 · 143-144 °C(Press: 13-14 Torr)
Density: 1.051 · 1.051±0.06 g/cm3(Predicted)
vapor pressure: 2.35 · 2.35-2.38Pa at 25℃
form: Liquid
pka: 5.67 · 5.67±0.50(Predicted)
InChI: InChI=1S/C11H16ClN/c1-3-13(8-7-12)11-6-4-5-10(2)9-11/h4-6,9H,3,7-8H2,1-2H3
InChIKey: DLRPOOIAFCOLII-UHFFFAOYSA-N
SMILES: C1(N(CCCl)CC)=CC=CC(C)=C1
LogP: 3.95 · 3.95
CAS DataBase Reference: 22564 · 22564-43-8(CAS DataBase Reference)
EPA Substance Registry System: Benzenamine, N-(2-chloroethyl)-N-ethyl-3-methyl- (22564-43-8)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
TSCA: TSCA listed
REACH Registrations: Active

Safety & regulation

Hazard information

Regulatory InformationChemical: Benzenamine, N-(2-chloroethyl)-N-ethyl-3-methyl-

Safety data

tsca: TSCA listed
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H312-H332
REACH Registrations: Active
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501