N-Boc-3-(aminomethyl)benzyl Alcohol - CAS 226070-69-5

Catalog:	BB017680
Product Name:	N-Boc-3-(aminomethyl)benzyl Alcohol
CAS:	226070-69-5
Synonyms:	N-[[3-(hydroxymethyl)phenyl]methyl]carbamic acid tert-butyl ester; tert-butyl N-[[3-(hydroxymethyl)phenyl]methyl]carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-[[3-(hydroxymethyl)phenyl]methyl]carbamate
Description:	N-Boc-3-(aminomethyl)benzyl Alcohol (CAS# 226070-69-5) is a useful research chemical.
Molecular Weight:	237.29
Molecular Formula:	C13H19NO3
Canonical SMILES:	CC(C)(C)OC(=O)NCC1=CC(=CC=C1)CO
InChI:	InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-8-10-5-4-6-11(7-10)9-15/h4-7,15H,8-9H2,1-3H3,(H,14,16)
InChI Key:	QNDFFICIIGQGDV-UHFFFAOYSA-N
Boiling Point:	0 °C
Density:	1.106 g/cm³
LogP:	2.59450

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	248
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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5