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Search term: SKHIBNDAFWIOPB-UHFFFAOYAE
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Inherent Properties, Identifiers and References
ChemSpider ID: 8722
Empirical Formula: C8H12ClN
Molecular Weight: 157.6406
Nominal Mass: 157 Da
Average Mass: 157.6406 Da
Monoisotopic Mass: 157.065827 Da
Systematic Name: 2-phenylethanamine hydrochloride
SMILES: Cl.NCCc1ccccc1
InChI: InChI=1/C8H11N.ClH/c9-7-6-8-4-2-1-3-5-8;/h1-5H,6-7,9H2;1H
InChIKey: SKHIBNDAFWIOPB-UHFFFAOYAE
Std. InChI: InChI=1S/C8H11N.ClH/c9-7-6-8-4-2-1-3-5-8;/h1-5H,6-7,9H2;1H
Std. InChIKey: SKHIBNDAFWIOPB-UHFFFAOYSA-N
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Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

.beta.-Ph​enethylam​ine hydro​chloride

.beta.-Ph​enylethyl​amine hyd​rochloride

2-Phenyle​thanamine​ hydrochl​oride (1:​1)

2-Phenyle​thanamini​um chlori​de

benzeneet​hanamine,​ hydrochl​oride (1:​1)

156-28-5 [RN]

1-Phenyl-​2-aminoet​hane hydr​ochloride

205-849-2 [EINECS/ELINCS]

2-Phenyle​thylamine​ hydrochl​oride

4-13-00-0​1017 (Bei​lstein Ha​ndbook Re​ference) [Beilstein]

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Database ID(s)

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ACD/LogP: 1.46 # of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): -1.62 ACD/LogD (pH 7.4): -0.95
ACD/BCF (pH 5.5): 1 ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1 ACD/KOC (pH 7.4): 1
#H bond acceptors: 1 #H bond donors: 2
#Freely Rotating Bonds: 3 Polar Surface Area: 3.24 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
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