4-(Boc-amino)benzyl Alcohol - CAS 144072-29-7

Catalog:	BB009722
Product Name:	4-(Boc-amino)benzyl Alcohol
CAS:	144072-29-7
Synonyms:	N-[4-(hydroxymethyl)phenyl]carbamic acid tert-butyl ester; tert-butyl N-[4-(hydroxymethyl)phenyl]carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-[4-(hydroxymethyl)phenyl]carbamate
Description:	4-(Boc-amino)benzyl Alcohol (CAS# 144072-29-7) is a useful research chemical.
Molecular Weight:	223.27
Molecular Formula:	C12H17NO3
Canonical SMILES:	CC(C)(C)OC(=O)NC1=CC=C(C=C1)CO
InChI:	InChI=1S/C12H17NO3/c1-12(2,3)16-11(15)13-10-6-4-9(8-14)5-7-10/h4-7,14H,8H2,1-3H3,(H,13,15)
InChI Key:	YQKDTZYYROHLMB-UHFFFAOYSA-N
Boiling Point:	401.4 °C at 760 mmHg
Density:	1.115 g/cm³
LogP:	2.59890

Publication Number	Title	Priority Date
US-2020331874-A1	NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS	20181207
US-2021253600-A1	Chromenopyridine derivatives as phosphatidylinositol phosphate kinase inhibitors	20171222
EP-3122758-A1	Novel klk4 inhibitors	20140328
US-10017527-B2	KLK4 inhibitors	20140328
US-2017101427-A1	Novel klk4 inhibitors	20140328

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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

Complexity:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.12084340
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	223.12084340
Rotatable Bond Count:	4
Topological Polar Surface Area:	58.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6