N-Boc-4-(aminomethyl)benzyl Alcohol - CAS 123986-64-1

Name: N-Boc-4-(aminomethyl)benzyl Alcohol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB005773
Product Name:	N-Boc-4-(aminomethyl)benzyl Alcohol
CAS:	123986-64-1
Synonyms:	N-[[4-(hydroxymethyl)phenyl]methyl]carbamic acid tert-butyl ester; tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]carbamate

Technical Data

IUPAC Name:	tert-butyl N-[[4-(hydroxymethyl)phenyl]methyl]carbamate
Description:	N-Boc-4-(aminomethyl)benzyl Alcohol (CAS# 123986-64-1) is a useful research chemical.
Molecular Weight:	237.29
Molecular Formula:	C13H19NO3
Canonical SMILES:	CC(C)(C)OC(=O)NCC1=CC=C(C=C1)CO
InChI:	InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-8-10-4-6-11(9-15)7-5-10/h4-7,15H,8-9H2,1-3H3,(H,14,16)
InChI Key:	KUEPOWVQABAWRK-UHFFFAOYSA-N
Boiling Point:	397.2 °C at 760 mmHg
Density:	1.106 g/cm³
Storage:	Sealed in dry, 2-8 °C
LogP:	2.59450

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
EP-3772355-A1	Bifunctional compound and its use in immunotherapy	20190805
WO-2021023512-A1	Bifunctional compound and its use in immunotherapy	20190805
WO-2020168017-A1	Compositions containing, methods and uses of antibody-tlr agonist conjugates	20190212
AU-2018321567-A1	Ether compounds and uses thereof	20170825
CA-3072543-A1	Ether compounds and uses thereof	20170825

Complexity:	240
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	237.13649347
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	237.13649347
Rotatable Bond Count:	5
Topological Polar Surface Area:	58.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5