1-phenylethylamine (CAS 618-36-0)

Name: 1-Phenethylamine (CAS 618-36-0) – space-filling 3D model – rotation animation, MolGod Viewer
Uploaded: 2026-11-02T15:00:59Z
Duration: 3 s
Channel: MolGod Scientific
Description: 1-Phenethylamine (CAS 618-36-0) – space-filling 3D model – rotation animation, MolGod Viewer

1-Phenethylamine

CAS 618-36-0 · C₈H₁₁N · MW 121.18 g/mol

1-phenylethylamine (CAS 618-36-0) — full MolGod record →
Safety data sheet with all sections: GHS classification, transport, regulatory status, spectra, 3D model and literature.

Full record: 1-phenylethylamine (CAS 618-36-0) — Safety Data Sheet →

Model views

ball-and-stick 3D model
skeletal 3D model
space-filling 3D model – rotation animation
2D structure

🖨️ 3D print model & licenseMolGod_Print3D_1

ENGRAVEDNORMAL

1-Phenethylamine (CAS 618-36-0), C8H11N - 3D ball-and-stick molecular model, engraved element symbols (C H N), MolGod STL preview

MG_943-064-466-74 · engraved · 237,598 △ · 11 MB · SHA-256 3e54fb95393cb62c

Download 3D model: 1-Phenethylamine, C₈H₁₁N, CAS 618-36-0 · ENGRAVED (C, H, N) · 11 MB

1-Phenethylamine (CAS 618-36-0), C8H11N - 3D ball-and-stick molecular model, MolGod STL preview

MG_943-064-466-74 · normal · 8,608 △ · 420 KB · SHA-256 2b80304c4a652ddf

Download 3D model: 1-Phenethylamine, C₈H₁₁N, CAS 618-36-0 · NORMAL · 420 KB

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About 1-phenylethylamine (CAS 618-36-0)

1-phenylethylamine (CAS 618-36-0) is a chemical compound registered under number CAS 618-36-0, with the molecular formula C₈H₁₁N, and a molar mass of 121.18 g/mol.

The molecule contains 20 atoms connected by 20 chemical bonds. The full systematic IUPAC name of this compound is 1-phenylethanamine. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 1.2 (positive value, a lipophilic compound), polar surface area PSA = 26 Å², 1 donors and 1 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties

Molecular formula	C₈H₁₁N
Molar mass	121.18 g/mol
IUPAC	1-phenylethanamine
SMILES	`CC(C1=CC=CC=C1)N`
InChIKey	`RQEUFEKYXDPUSK-UHFFFAOYSA-N`
logP (XLogP3)	1.2
PSA	26 Å²
HBD / HBA	1 / 1
PubChem CID	CID 7408 ↗

GHS safety

Signal word: Danger

GHS05

GHS07

H312 — Harmful in contact with skin

H302 — Harmful if swallowed

H314 — Causes severe skin burns and eye damage

Scientific literature

Brak articles naukowych dla CAS 618-36-0 w PubMed / OpenAlex / Semantic Scholar.

Synonyms

1-Phenylethanamine · 1-Phenylethylamine · ALPHA-METHYLBENZYLAMINE · alpha-Phenylethylamine · 1-Phenethylamine · alpha-Aminoethylbenzene · 1-Amino-1-phenylethane · 98-84-0 · alpha-Phenethylamine · alpha-Methylbenzenemethanamine · Sumine 2079 · Ethanamine, 1-phenyl- · Ethylamine, 1-phenyl- · (1-Aminoethyl)benzene · Benzene, (1-amino-ethyl)-

Data sources

📊 PubChem CID 7408 — NIH
🔬 NIST WebBook — spectroscopy
💊 ChEMBL — bioactivity

Related molecules

(-)-Mandelic acid CAS 611-71-2 · C8H8O3 Similar structure · Tanimoto 0.36 (R)-3-Amino-2-phenylpropionic acid CAS 1008-63-5 · C9H11NO2 Similar structure · Tanimoto 0.36 Chlorodimethylphenylsilane CAS 768-33-2 · C8H11ClSi Shared hazard H314 Aniline (CAS 62-53-3) CAS 62-53-3 · C6H7N Similar structure · Tanimoto 0.35 Toluene (CAS 108-88-3) CAS 108-88-3 · C7H8 Similar structure · Tanimoto 0.35 Bromotriphenylmethane CAS 596-43-0 · C19H15Br Shared hazard H314

📜 License & provenanceMolGod_License_1

COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.

Model: 1-Phenethylamine · 618-36-0
InChIKey: RQEUFEKYXDPUSK-UHFFFAOYSA-N
License: CC BY-SA 4.0 International
Attribution: MolGod Scientific — 1-Phenethylamine (CAS 618-36-0)
License & provenance record: 1-Phenethylamine (CAS 618-36-0) →
MolGod molecule record: 1-Phenethylamine →
Source data: PubChem CID 7408 ↗
Model information: STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL): 2b80304c4a652ddfe64ea4ffd3c691bdc8d8beb4596ddb53d14edfde6d5f16f2
MD5 (STL): 910e291d5c2fc1d0029661df43ae2733
MolGod Identification Number: MG_943-064-466-74
Transformation: MolGod Scientific ball-and-stick mesh
Changes: Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons: STL · PNG

📄 Download 3D model: 1-Phenethylamine, C₈H₁₁N, CAS 618-36-0 · NORMAL · 420 KB 📄 Download 3D model: 1-Phenethylamine, C₈H₁₁N, CAS 618-36-0 · ENGRAVED (C, H, N) · 11 MB

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