4-[2-(Boc-amino)ethyl]benzyl Alcohol - CAS 421551-76-0

Name: 4-[2-(Boc-amino)ethyl]benzyl Alcohol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB025065
Product Name:	4-[2-(Boc-amino)ethyl]benzyl Alcohol
CAS:	421551-76-0
Synonyms:	N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamic acid tert-butyl ester; tert-butyl N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate

Technical Data

IUPAC Name:	tert-butyl N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate
Description:	4-[2-(Boc-amino)ethyl]benzyl Alcohol (CAS# 421551-76-0) is a useful research chemical.
Molecular Weight:	251.32
Molecular Formula:	C14H21NO3
Canonical SMILES:	CC(C)(C)OC(=O)NCCC1=CC=C(C=C1)CO
InChI:	InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15-9-8-11-4-6-12(10-16)7-5-11/h4-7,16H,8-10H2,1-3H3,(H,15,17)
InChI Key:	UDROTENLDOIPLQ-UHFFFAOYSA-N
Boiling Point:	411.396 °C at 760 mmHg
Density:	1.088 g/cm³
LogP:	1.38040

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021106988-A1	G9a INHIBITOR	20191127
WO-2016155679-A1	Triphenylphosphonium biguanide analogues, their method of preparation and use as drugs	20150331
WO-2011123678-A2	Substituted benzo-pyrido-triazolo-diazepine compounds	20100331
CA-2771226-A1	New bradykinin b1 antagonists	20080822
EP-2331518-A1	New bradykinin b1 antagonists	20080822

Complexity:	252
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	251.15214353
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	251.15214353
Rotatable Bond Count:	6
Topological Polar Surface Area:	58.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2