N-Methyl-N-phenylbenzylamine

HCID 69191CAS 614-30-2

Substructure search Find similar structures

Basic information

Standard SMILES: CN(Cc1ccccc1)c1ccccc1
InChIKey: LXZGVFCKZRHKMU-UHFFFAOYSA-N
Molecular formula: C14H15N
Average molar mass: 197.27 g/mol
Monoisotopic mass: 197.12044948

Names & identifiers

Preferred name: N-Methyl-N-phenylbenzylamine
IUPAC: N-benzyl-N-methylaniline
English name: N-METHYL-N-BENZYLANILINE
Molecular formula: C14H15N
Molecular weight: 197.28

Names & synonyms

N-Benzyl-N-methylaniline614-30-2N-Methyl-N-benzylanilineBenzenemethanamine, N-methyl-N-phenyl-N-Methyl-N-phenylbenzylamineBenzylamine, N-methyl-N-phenyl-1S9PP10CZSNSC 97NSC-97N-benzyl-N-methyl-N-phenylamineN-BENZYL-N-METHYLBENZENAMINEEINECS 210-375-4

Show more names

NSC97METHYLBENZYLANILINEN-METHYL-N-BENZYLANIBenzylmethylphenylamineN-Methyl-N-benzylanilinN-Benzyl-N-methylanilinN-BENZYL N-METHYL ANILINEN-Phenyl-N-methylbenzylamine

DTXSID6060630N-BENZYL-N-METHYLPHENYLAMINEN-METHYL-N-BENZYLPHENYLAMINEN-METHYL-N-PHENYLBENZENEMETHANAMINERefChem:830641DTXCID8043022Benzylamine, N-methyl-N-phenyl-(8CI)210-375-4

Database identifiers

CAS: 614-30-2
PubChem CID: 69191
DTXSID: DTXSID6060630
UNII: 1S9PP10CZS
EC Number: 210-375-4
Nikkaji: J96.119A

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 166

Experimental & physicochemical properties

Kovats Retention Index · 2 items

1680.8

2430

Physicochemical properties

Melting point: 9.3 °C · 9.3°C
Boiling point: 318 °C · 318 °C(lit.)
Density: 1.04 g/mL · 1.04 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.605(lit.)
Flash point: 110 °C · 110 °C
storage temp.: 30 °C · Store below +30°C.
solubility: 0.009 g/l · 0.009g/l
pka: 4.38 · 4.38±0.50(Predicted)
form: liquid
Water Solubility: 0.009 g/L · 0.009g/L
FreezingPoint: 8 ℃ · 8℃
InChI: InChI=1S/C14H15N/c1-15(14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3
InChIKey: LXZGVFCKZRHKMU-UHFFFAOYSA-N
SMILES: C1(CN(C)C2=CC=CC=C2)=CC=CC=C1
CAS DataBase Reference: 614 · 614-30-2(CAS DataBase Reference)
FDA UNII: 1 S9PP10CZS · 1S9PP10CZS
EPA Substance Registry System: Benzenemethanamine, N-methyl-N-phenyl- (614-30-2)
UNSPSC Code: 12352116 · 12352116
NACRES: 22 · NA.22
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 2 · 2
Autoignition Temperature: 450 °C · 450 °C DIN 51794
TSCA: TSCA listed
HS Code: 2921 · 2921 49 00
Storage Class: 10 · 10 - Combustible liquids
Toxicity: 50 orally · LD50 orally in Rabbit: 2130 mg/kg

Safety & regulation

Hazard information

Regulatory InformationChemical: Benzenemethanamine, N-methyl-N-phenyl-

Regulatory information

Regulatory InformationChemical: Benzenemethanamine, N-methyl-N-phenyl-

Safety data

wgk: 2
tsca: TSCA listed
hs_code: 2921 49 00
Toxicity: LD50 orally in Rabbit: 2130 mg/kg
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Storage Class: 10 - Combustible liquids
Autoignition Temperature: 450 °C DIN 51794

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenemethanamine, N-methyl-N-phenyl-: ACTIVE

Applications

UsesN-Benzyl-N-methylaniline is a tertiary amine and a useful building block, used in the synthetic preparation of fused tetrahydroquinolines via oxidative cyclization of anilines with maleimides.