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1-Phenylethylamine

1-Phenylethylamine structure

CAS No:
618-36-0
Formula:
C8H11N
Chemical Name:
1-Phenylethylamine
Synonyms:
Benzenemethanamine,α-methyl-;Benzylamine,α-methyl-,(±)-;Benzenemethanamine,α-methyl-,(±)-;Benzylamine,α-methyl-,dl-;α-Methylbenzenemethanamine;(±)-1-Phenethylamine;(±)-α-Phenylethylamine;DL-1-Phenylethylamine;(±)-α-Methylbenzylamine;(±)-1-Phenylethylamine;DL-α-Methylbenzylamine;dl-α-Phenylethylamine;(±)-1-Amino-1-phenylethane;(RS)-α-Methylbenzylamine;dl-α-Methylbenzylamine;dl-α-Phenethylamine;dl-1-Phenylethylamine;DL-α-Phenylethylamine;(±)-α-Methylbenzenemethanamine;(RS)-1-Phenylethylamine;(±)-α-Phenethylamine;(RS)-1-Phenylethylamine;(±)-Phenylethylamine;α-Methylbenzylamine;α-Phenylethylamine;α-Phenethylamine;1-Amino-1-phenylethane;Ethanamine,1-phenyl-;1-Phenylethylamine;1-Phenylethanamine;1-Phenyl-1-ethanamine;(1-Aminoethyl)benzene;APEA;α-Aminoethylbenzene;NSC 8391;98-84-0
Categories:
Organic Chemistry > Amides

Description

liquid

Solid

1-phenylethylamine is a phenylethylamine that is ethylamine substituted by a phenyl group at position 1. It has a role as a human metabolite.

1-Phenylethylamine Basic Attributes

Molecular Weight：

121.180

Exact Mass：

121.18

EC Number：

202-706-6

NSC Number：

8391

Color/Form：

WATER-WHITE LIQ

HScode：

2921499090

Characteristics

PSA：

26.02000

XLogP3：

1.44

Appearance：

Solid

Density：

0.9458 g/cm³ @ Temp: 24 °C

Melting Point：

32 °C

Boiling Point：

187 °C

Flash Point：

79.4±0.0 °C

Refractive Index：

1.533

Water Solubility：

4.2 g/100 mL (20 ºC)

Storage Conditions：

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area.

Vapor Pressure：

0.7 hPa (20 °C)

Vapor Density：

4.2 (AIR= 1)

Odor：

MILD AMMONIACAL ODOR

Experimental Properties：

BOILING POINT: 187 °C @ 760 MM HG; DENSITY: 0.9651 @ 15 °C; SPECIFIC OPTICAL ROTATION (METHANOL): +39.2 DEG @ 25 °C/D; SOL IN WATER; VERY SOL IN ALC, ETHER /D-FORM/|BOILING POINT: 184-186 °C; DENSITY: 0.9520 @ 20 °C/4 °C; SPECIFIC OPTICAL ROTATION (METHANOL): -38 DEG @ 18 °C/D; SOL IN WATER; VERY SOL IN ALC, ETHER /L-FORM/|AROMATIC ODOR; STRONG BASE; ABSORBS CO2 FROM AIR; DENSITY: 0.9395 @ 15 °C/4 °C; BP: 80-81 °C @ 18 MM HG; LIQUID; SOL IN WATER: ABOUT 4.2% @ 20 °C; MISCIBLE WITH ALC, ETHER /DL-FORM/|SETS TO A GLASS BELOW -65 °C

Safety Information

Packing level：

III

Transport codes：

UN 2735

wgk germany：

hazard class code：

R21/22;R34

safety instructions：

S26-S28-S36/37/39-S45

RTECS Number：

DP5775000

Marks：

C: Corrosive;

Stability/Shelf Life：

Stable, but absorbs carbon dioxide from the air. Store under an inert atmosphere. Incompatible with strong oxidizing agents, carbon dioxide.

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H302-H312-H314

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P264, P270, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 135 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H302: Harmful if swallowed [Warning Acute toxicity, oral]|Warning|H227: Combustible liquid [Warning Flammable liquids]|P210, P264, P270, P280, P301+P312, P302+P352, P312, P322, P330, P363, P370+P378, P403+P235, and P501

Fire Potential：

MODERATE, WHEN EXPOSED TO HEAT OR FLAME; CAN REACT WITH OXIDIZING MATERIALS

Fire Fighting Procedures：

ALCOHOL FOAM, CARBON DIOXIDE, DRY CHEMICAL

NFPA Hazard Classification：

| 2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.| 2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air.| 0 - Materials that in themselves are normally stable, even under fire conditions.

Toxicity

Interactions：

LINOLEIC ACID MIXED WITH ALPHA-METHYL BENZYLAMINE IN A 1:1 MOLAR RATIO & FED TO RATS, ON A HIGH CHOLESTEROL DIET, @ 0.2% OF THE DIET HAD NO EFFECT ON PLASMA & LIVER LIPID LEVELS.

Drug Information

Metabolism/Metabolites：

DEMETHYLATION OF N-METHYLPHENYLALKYLAMINES BY RAT LIVER HOMOGENATES.

MeSH Entry Terms：

1-phenethylamine

1-Phenylethylamine Use and Manufacturing

Methods of Manufacturing

PREPARED BY REDUCTION OF ACETOPHENONE IN LIQUID AMMONIA: ROBINSON, SNYDER, ORG SYN COLL VOL III, 717 (1955).

Uses

SYNTHESIS; EMULSIFYING AGENT

Manufacturing Info：

Benzenemethanamine, .alpha.-methyl-, (.alpha.S)-: ACTIVE|Benzenemethanamine, .alpha.-methyl-, (.alpha.R)-: ACTIVE|Benzenemethanamine, .alpha.-methyl-: ACTIVE

Analytic Methods：

ANALYTE: AROMATIC AMINES; MATRIX: AIR; RANGE: 0.01-14 MG/SAMPLE; PROCEDURE: ADSORPTION ON SILICA GEL; ELUTION BY ETHANOL; GC ANALYSIS /AROMATIC AMINES/

Computed Properties

Molecular Weight:121.18
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:121.089149355
Monoisotopic Mass:121.089149355
Topological Polar Surface Area:26
Heavy Atom Count:9
Complexity:74.6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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