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

CAS 108468-00-4  ·  C13H20N2O2  ·  MW 236.31 g/mol

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3D model tert-butyl N-{[4-(aminomethyl)phenyl]methyl}carbamate, CAS 108468-00-4, molecular formula C13H20N2O2, molar mass 236.31 g/mol
About 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 widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC13H20N2O2
Masa molowa236.31 g/mol
IUPACtert-butyl N-[[4-(aminomethyl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1=CC=C(C=C1)CN
InChIKeyNUANLVJLUYWSER-UHFFFAOYSA-N
logP (XLogP3)1.3
PSA64.4 Ų
HBD / HBA2 / 3
PubChem CIDCID 3354775 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

Scientific literature

Related literature

15 articles · 7 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (15 articles)

2019: 1 articles20192020: 2 articles2021: 1 articles2022: 1 articles2023: 2 articles20232024: 3 articles2025: 2 articles2026: 3 articles2026

Bar height = number of articles per year. Hover dla szczegółów.

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
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
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
tert-butyl N-{[4-(aminomethyl)phenyl]methyl}carbamate — CAS 108468-00-4

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
tert-butyl N-{[4-(aminomethyl)phenyl]methyl}carbamate (CAS 108468-00-4) — License & Provenance

Source:
tert-butyl N-{[4-(aminomethyl)phenyl]methyl}carbamate (CAS 108468-00-4) — MolGod molecule record

Source data: PubChem CID 3354775

STL: Download 3D model (752 KB)

SHA-256: d1af04153ef071013868fac8ca094a5c3f45a6d38d707ad0532b593c1b218c68

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Source data: PubChem CID 3354775

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