N-BOC-N,N-Bis(2-chloroethyl)amine

N-BOC-N,N-Bis(2-chloroethyl)amine is a chemical compound registered under number CAS 118753-70-1, with the molecular formula C₉H₁₇Cl₂NO₂, and a molar mass of 242.14 g/mol.

The molecule contains 31 atoms connected by 30 chemical bonds. The full systematic IUPAC name of this compound is tert-butyl N,N-bis(2-chloroethyl)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 = 2.3 (positive value, a lipophilic compound), polar surface area PSA = 29.5 Ų, 0 donors and 2 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.

Molecular formula	C9H17Cl2NO2
Masa molowa	242.14 g/mol
IUPAC	tert-butyl N,N-bis(2-chloroethyl)carbamate
SMILES	CC(C)(C)OC(=O)N(CCCl)CCCl
InChIKey	FQZLNQAUUMSUHT-UHFFFAOYSA-N
logP (XLogP3)	2.3
PSA	29.5 Ų
HBD / HBA	0 / 2
PubChem CID	CID 11230235 ↗

Signal word: Warning

H302 — Działa szkodliwie po połknięciu

H315 — Działa drażniąco na skórę

H332 — Działa szkodliwie w następstwie wdychania

N-Boc-N,N-bis(2-chloroethyl)amine · RefChem:829345 · 822-891-2 · 118753-70-1 · tert-butyl bis(2-chloroethyl)carbamate · Tert-butyl N,N-bis(2-chloroethyl)carbamate · MFCD06858679 · Carbamic acid,N,N-bis(2-chloroethyl)-, 1,1-dimethylethyl ester · C9H17Cl2NO2 · bis-(2-chloro-ethyl)-carbamic acid tert-butyl ester · N,N-bis(2-chloroethyl)carbamic acid tert-butyl ester · Carbamic acid, bis(2-chloroethyl)-, 1,1-dimethylethyl ester · 2-Methyl-2-propanyl bis(2-chloroethyl)carbamate · bis(2-chloroethyl)carbamic acid tert-butyl ester · SCHEMBL193337

• 📊 PubChem CID 11230235 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność