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2-Bromo-N-(2-bromoethyl)-N-Cbz-ethanamine

2-Bromo-N-(2-bromoethyl)-N-Cbz-ethanamine - CAS 189323-09-9

Catalog:	BB014615
Product Name:	2-Bromo-N-(2-bromoethyl)-N-Cbz-ethanamine
CAS:	189323-09-9
Synonyms:	N,N-bis(2-bromoethyl)carbamic acid (phenylmethyl) ester; benzyl N,N-bis(2-bromoethyl)carbamate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	benzyl N,N-bis(2-bromoethyl)carbamate
Description:	2-Bromo-N-(2-bromoethyl)-N-Cbz-ethanamine (CAS# 189323-09-9 ) is a useful research chemical.
Molecular Weight:	365.06
Molecular Formula:	C12H15Br2NO2
Canonical SMILES:	C1=CC=C(C=C1)COC(=O)N(CCBr)CCBr
InChI:	InChI=1S/C12H15Br2NO2/c13-6-8-15(9-7-14)12(16)17-10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChI Key:	KZXFVMMTKPFXAO-UHFFFAOYSA-N
Appearance:	Solid
LogP:	3.41500

Publication Number	Title	Priority Date
WO-2020192652-A1	Preparation method for amide compounds and use thereof in medical field	20190325
WO-2013094581-A1	Novel camptothecin derivative	20111221
CA-2647603-A1	Ureide derivative and use thereof for medical purposes	20060327
EP-2009006-A1	Ureide derivative and use thereof for medical purposes	20060327
JP-WO2007111323-A1	Ureido derivatives and their pharmaceutical use	20060327

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	215
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	364.9449
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	362.94695
Rotatable Bond Count:	7
Topological Polar Surface Area:	29.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7