tert-butyl N-{[4-(aminomethyl)phenyl]methyl}carbamate

tert-butyl N-{[4-(aminomethyl)phenyl]methyl}carbamate is a chemical compound registered under number CAS 108468-00-4, with the molecular formula C₁₃H₂₀N₂O₂, and a molar mass of 236.31 g/mol.

The molecule contains 37 atoms connected by 37 chemical bonds. The full systematic IUPAC name of this compound is tert-butyl N-[[4-(aminomethyl)phenyl]methyl]carbamate. 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 = 1.3 (positive value, a lipophilic compound), polar surface area PSA = 64.4 Ų, 2 donors and 3 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/.

Molecular formula	C13H20N2O2
Molar mass	236.31 g/mol
IUPAC	tert-butyl N-[[4-(aminomethyl)phenyl]methyl]carbamate
SMILES	CC(C)(C)OC(=O)NCC1=CC=C(C=C1)CN
InChIKey	NUANLVJLUYWSER-UHFFFAOYSA-N
logP (XLogP3)	1.3
PSA	64.4 Ų
HBD / HBA	2 / 3
PubChem CID	CID 3354775 ↗

Signal word: Warning

H315 — Causes skin irritation

H319 — Causes serious eye irritation

H335 — May cause respiratory irritation

Brak articles naukowych dla CAS 108468-00-4 w PubMed / OpenAlex / Semantic Scholar.

Tert-butyl N-[[4-(aminomethyl)phenyl]methyl]carbamate · tert-butyl N-{[4-(aminomethyl)phenyl]methyl}carbamate · tert-butyl N-((4-(aminomethyl)phenyl)methyl)carbamate · RefChem:895049 · 628-429-4 · 1-(N-Boc-aminomethyl)-4-(aminomethyl)benzene · 108468-00-4 · tert-butyl 4-(aminomethyl)benzylcarbamate · TERT-BUTYL N-[4-(AMINOMETHYL)BENZYL]CARBAMATE · MFCD02683058 · tert-Butyl N-[4-(aminomethyl)benzyl] carbamate · N-mono(Boc)-p-xylylenediamine · N-Boc-4-(aminomethyl)benzylamine · AKOS010142082 · DS-10915

• 📊 PubChem CID 3354775 — NIH
• 🔬 NIST WebBook — spectroscopy
• 💊 ChEMBL — bioactivity