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156-28-5

Basic Information
CAS No.: 156-28-5
Name: 2-Phenylethylamine hydrochloride
Molecular Structure:
Molecular Structure of 156-28-5 (2-Phenylethylamine hydrochloride)
Formula: C8H12ClN
Molecular Weight: 157.66
Synonyms: Benzeneethanamine,hydrochloride (9CI);Phenethylamine, hydrochloride (8CI);2-Phenethylaminehydrochloride;2-Phenethylammonium chloride;Benzeneethanamine,hydrochloride (1:1);2-Phenylethylammonium chloride;Phenethylammonium chloride;b-Phenethylamine hydrochloride;b-Phenylethylamine hydrochloride;
EINECS: 205-849-2
Density:
Melting Point: 220-222 °C(lit.)
Boiling Point: 196.5 °C at 760 mmHg
Flash Point: 90.6 °C
Solubility:
Appearance:
Hazard Symbols: HarmfulXn, IrritantXi
Risk Codes: 22-36/37/38
Safety: 26-36
Transport Information: UN 2811
PSA: 26.02000
LogP: 2.69010
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  • 2-Phenylethylamine hydrochlorideCAS NO.: 156-28-5

  • Casno:

    156-28-5

    2-Phenylethylamine hydrochlorideCAS NO.: 156-28-5

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Chemistry

The molecular structure of 2-Phenylethylamine hydrochloride (CAS NO.156-28-5):

IUPAC Name: 2-Phenylethanamine hydrochloride 
Molecular Weight: 157.64058 g/mol
Molecular Formula: C8H12ClN 
Melting Point: 220-222 °C(lit.)
Flash Point: 90.6 °C
Enthalpy of Vaporization: 43.27 kJ/mol
Boiling Point: 196.5 °C at 760 mmHg
Vapour Pressure: 0.398 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 1
Rotatable Bond Count: 2
Exact Mass: 157.065827
MonoIsotopic Mass: 157.065827
Topological Polar Surface Area: 26
Heavy Atom Count: 10
Canonical SMILES: C1=CC=C(C=C1)CCN.Cl
InChI: InChI=1S/C8H11N.ClH/c9-7-6-8-4-2-1-3-5-8;/h1-5H,6-7,9H2;1H
InChIKey: SKHIBNDAFWIOPB-UHFFFAOYSA-N
EINECS: 205-849-2 
Classification Code: Drug / Therapeutic Agent; Human Data; Skin / Eye Irritant

Toxicity Data With Reference

1.    

eye-man 50 mg SEV

    AIMDAP    Archives of Internal Medicine. 39 (1927),404.
2.    

orl-hmn TDLo:714 mg/kg:CVS

    AIMDAP    Archives of Internal Medicine. 39 (1927),404.
3.    

orl-hmn TDLo:45 mg/kg:CNS

    KLWOAZ    Klinische Wochenscrift. 17 (1938),1580.
4.    

scu-rat LDLo:160 mg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 71 (1941),62.
5.    

scu-mus LD50:470 mg/kg

    JPPMAB    Journal of Pharmacy and Pharmacology. 15 (1963),472.
6.    

ivn-rbt LDLo:50 mg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 36 (1929),363.
7.    

skn-gpg LDLo:200 mg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 32 (1927),121.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Hazard Codes: HarmfulXn, IrritantXi
Risk Statements: 22-36/37/38 
R22:Harmful if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
RIDADR: 2811
WGK Germany: 3
RTECS: SH7175000
HazardClass: 6.1(b)
PackingGroup: III
Poison by skin contact, subcutaneous, and intravenous routes. A human eye irritant. A skin irritant and possible sensitizer. Human systemic effects by ingestion: blood pressure lowering, anorexia. When heated to decomposition it emits very toxic fumes of NOx and HCl. 

Specification

 2-Phenylethylamine hydrochloride (CAS NO.156-28-5) is also named as 1-Phenyl-2-aminoethane hydrochloride ; Benzeneethanamine hydrochloride ; NSC 138569 ; Phenethylammonium chloride ; UNII-VOF61XW69D ; USAF EL-76 ; beta-Phenethylamine hydrochloride ; beta-Phenylathylaminhydrochlorid ; beta-Phenylathylaminhydrochlorid [German] ; beta-Phenylethylamine hydrochloride .