N,N-Bis(Boc)allylamine - CAS 115269-99-3

Name: N,N-Bis(Boc)allylamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB003531
Product Name:	N,N-Bis(Boc)allylamine
CAS:	115269-99-3
Synonyms:	N-[(2-methylpropan-2-yl)oxy-oxomethyl]-N-prop-2-enylcarbamic acid tert-butyl ester; tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-prop-2-enylcarbamate

Technical Data

IUPAC Name:	tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-prop-2-enylcarbamate
Description:	N,N-Bis(Boc)allylamine (CAS# 115269-99-3) is a useful research chemical.
Molecular Weight:	257.33
Molecular Formula:	C13H23NO4
Canonical SMILES:	CC(C)(C)OC(=O)N(CC=C)C(=O)OC(C)(C)C
InChI:	InChI=1S/C13H23NO4/c1-8-9-14(10(15)17-12(2,3)4)11(16)18-13(5,6)7/h8H,1,9H2,2-7H3
InChI Key:	YLJIUBLSFUQBSL-UHFFFAOYSA-N
Boiling Point:	293.6 °C at 760 mmHg
Density:	1.019 g/cm³
Appearance:	White solid
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD04115302
LogP:	3.34460

GHS Hazard Statement:	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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2020190091-A1	Nitrogenous heterocyclic compound, preparation method, intermediate, composition, and application	20170901
EP-3677583-A1	Nitrogenous heterocyclic compound, preparation method, intermediate, composition, and application	20170901
EP-3424928-A1	Nitrogenous heterocyclic compound, preparation method, intermediate, composition and use	20160301
US-2019091226-A1	Nitrogenous heterocyclic compound, preparation method, intermediate, composition and use	20160301
US-10828305-B2	Nitrogenous heterocyclic compound, preparation method, intermediate, composition and use	20160301

Complexity:	295
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	257.16270821
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	257.16270821
Rotatable Bond Count:	6
Topological Polar Surface Area:	55.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9