4-(Boc-aminomethyl)benzyl Bromide - CAS 187283-17-6

Name: 4-(Boc-aminomethyl)benzyl Bromide
Brand: BOC Sciences
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Catalog:	BB014412
Product Name:	4-(Boc-aminomethyl)benzyl Bromide
CAS:	187283-17-6
Synonyms:	N-[[4-(bromomethyl)phenyl]methyl]carbamic acid tert-butyl ester; tert-butyl N-[[4-(bromomethyl)phenyl]methyl]carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-[[4-(bromomethyl)phenyl]methyl]carbamate
Description:	4-(Boc-aminomethyl)benzyl Bromide (CAS# 187283-17-6) is a useful research chemical.
Molecular Weight:	300.19
Molecular Formula:	C13H18BrNO2
Canonical SMILES:	CC(C)(C)OC(=O)NCC1=CC=C(C=C1)CBr
InChI:	InChI=1S/C13H18BrNO2/c1-13(2,3)17-12(16)15-9-11-6-4-10(8-14)5-7-11/h4-7H,8-9H2,1-3H3,(H,15,16)
InChI Key:	UYGBIHFTZHBDEQ-UHFFFAOYSA-N
Boiling Point:	392.323 °C at 760 mmHg
Density:	1.305 g/cm³
MDL:	MFCD11974929
LogP:	3.99710

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Related Functional Groups

Nitrogen Compounds

[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[2006278-12-0]C13H9BrN2O
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[514801-07-1]C13H12ClN3O4
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[5071-96-5]C8H11NO
3-Methoxybenzylamine
[1129-37-9]C7H6N2O3
4-Nitrobenzaldehyde oxime

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021204626-A1	Aryl and heteroaryl-carboxamide substituted heteroaryl compounds as tyk2 inhibitors	20200406
WO-2021188948-A1	Mdm2 degraders and uses thereof	20200319
CN-113372327-A	Glutarimide skeleton-based compound and application thereof	20200225
WO-2021170021-A1	Glutarimide skeleton-based compounds and application thereof	20200225
WO-2021058027-A1	Pyrrolo heteroaryl derivative or conjugate thereof, preparation method therefor and application thereof	20190929

Complexity:	242
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	299.05209
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	299.05209
Rotatable Bond Count:	5
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3