α-(Boc-amino)phenethylamine - CAS 142910-85-8

Name: α-(Boc-amino)phenethylamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB009463
Product Name:	α-(Boc-amino)phenethylamine
CAS:	142910-85-8
Synonyms:	tert-butyl N-(2-amino-1-phenylethyl)carbamate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl N-(2-amino-1-phenylethyl)carbamate
Description:	α-(Boc-amino)phenethylamine (CAS# 142910-85-8 ) is a useful research chemical.
Molecular Weight:	236.31
Molecular Formula:	C13H20N2O2
Canonical SMILES:	CC(C)(C)OC(=O)NC(CN)C1=CC=CC=C1
InChI:	InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-11(9-14)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3,(H,15,16)
InChI Key:	IJALRZPKODHZOR-UHFFFAOYSA-N
Boiling Point:	372.2 °C at 760 mmHg
Purity:	95 %
Density:	1.066 g/cm³
Appearance:	Solid
MDL:	MFCD09027881
LogP:	3.30230

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Related Functional Groups

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Nitrogen Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[32894-07-8]C9H11NS · HCl
Benzyl thioacetimidate hydrochloride
[1170836-25-5]C8H11N3O2
1-Cyclopentyl-5-nitro-1H-pyrazole
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[13021-14-2]C10H15N
2,4,6-Trimethyl-N-methylaniline

GHS Hazard Statement:	H302 (100%): 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, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2020254831-A1	Bicyclic heterocyclic compounds as inhibitors ofbcdin3d activity	20190620
CA-3073794-A1	Fused [1,2,4]thiadiazine derivatives which act as kat inhibitors of the myst family	20170831
CN-109415355-A	Benzdioxan derivative and its medicinal usage	20160629
EP-3030555-A1	Novel pyrazine amide compounds	20130808
EP-3030555-B1	Novel pyrazine amide compounds	20130808

Complexity:	242
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	236.152477885
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	236.152477885
Rotatable Bond Count:	5
Topological Polar Surface Area:	64.4 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5