N2-Boc-N1-benzyl-1,2-ethylenediamine - CAS 174799-52-1

Catalog:	BB013042
Product Name:	N2-Boc-N1-benzyl-1,2-ethylenediamine
CAS:	174799-52-1
Synonyms:	N-[2-[(phenylmethyl)amino]ethyl]carbamic acid tert-butyl ester; tert-butyl N-[2-(benzylamino)ethyl]carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-[2-(benzylamino)ethyl]carbamate
Description:	N2-Boc-N1-benzyl-1,2-ethylenediamine (CAS# 174799-52-1) is used in preparation of AGC kinase inhibitor and application.
Molecular Weight:	250.34
Molecular Formula:	C14H22N2O2
Canonical SMILES:	CC(C)(C)OC(=O)NCCNCC1=CC=CC=C1
InChI:	InChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16-10-9-15-11-12-7-5-4-6-8-12/h4-8,15H,9-11H2,1-3H3,(H,16,17)
InChI Key:	ZSJCBAQDXIZTTC-UHFFFAOYSA-N
LogP:	2.89620

Publication Number	Title	Priority Date
WO-2021178488-A1	Eif4e inhibitors and uses thereof	20200303
WO-2020260597-A1	Compositions comprising enzyme cleavable linker platforms and conjugates thereof	20190626
WO-2019152681-A1	Spiro-lactam and bis-spiro-lactam nmda receptor modulators and uses thereof	20180131
EP-3505513-A1	Isoquinoline derivatives and their use for the treatemtn of ophthalmic disorders	20171226
JP-2019142838-A	COMPOUND INHIBITING AGC KINASE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME	20171226

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	243
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	250.168127949
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	250.168127949
Rotatable Bond Count:	7
Topological Polar Surface Area:	50.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2