4-(Aminomethyl)benzyl Alcohol - CAS 39895-56-2

Catalog:	BB024191
Product Name:	4-(Aminomethyl)benzyl Alcohol
CAS:	39895-56-2
Synonyms:	[4-(aminomethyl)phenyl]methanol; [4-(aminomethyl)phenyl]methanol

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Computed Properties

IUPAC Name:	[4-(aminomethyl)phenyl]methanol
Description:	4-(Aminomethyl)benzyl Alcohol (CAS# 39895-56-2) is a compound useful in organic synthesis.
Molecular Weight:	137.18
Molecular Formula:	C8H11NO
Canonical SMILES:	C1=CC(=CC=C1CN)CO
InChI:	InChI=1S/C8H11NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,5-6,9H2
InChI Key:	WMOUKOAUAFESMR-UHFFFAOYSA-N
Boiling Point:	280.023 °C at 760 mmHg
Density:	1.113 g/cm³
Appearance:	Solid
LogP:	1.33790

Publication Number	Title	Priority Date
CN-111569071-A	Preparation and application of polylactic acid nanoparticles containing cell-penetrating peptide and subjected to light/active oxygen stimulation to remove PEG shells	20200529
CN-111187218-A	Application of 1-substituted-1H-imidazole-2-carboxylic acid compounds in preparation of metal Î² -lactamase inhibitor	20200226
CN-111253317-A	1-substituted-1H-imidazole-2-carboxylic acid compound	20200226
WO-2021005586-A1	Tricyclic akr1c3 dependent kars inhibitors	20190801
CN-111334079-A	Full-spectrum high-brightness and high-stability fluorescent dye and synthesis and application thereof	20181218

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GHS Hazard Statement:	H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	87.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	137.084063974
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	137.084063974
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1